Ádám Gali's home page My research background is ab-initio computational materials science focusing on point defects in bulk and nanostructures semiconductor materials. The corresponding upgraded lecture notes (Hungarian text) can be found here. After winning the so-called Lendület Award of the Hungarian Academy of Sciences experiments were initiated in my research group to realize the ideas from quantum mechanical simulations. Now the experimental and computational fractions of my research group work in symbiosis to develop new materials in the field of solar cells, biomarkers and solid state quantum information processing. Visit the web site of Ádám Gali's research group for more details. You can find my short biography and published papers here.

Curriculum Vitae

• name: Mr. Adam Gali
• date and place of birth: 1973-02-28, Budapest
• education: Budapest University of Technology and Economics
• degree:
  • electrical engineer, 1996
  • PhD in physics, 2001
  • Doctor of Science (DSc) title from the Hungarian Academy of Sciences in physics, 2011
  • Habilitate (Budapest University of Technology and Economics), 2011
• research experiences:
  • TEMPUS (EU) scholar at Chemnitz University (Thomas Frauenheim group, Germany), 1997
  • Postdoctoral scholar at Linköping University (Erik Janzén group, Sweden), 2002-2007
  • Postdoctoral fellow at Harvard University (Efthimios Kaxiras group, USA), 2007-2009 (with intermission)
• job:
  • 1999-2010 (with long-term intermissions), researcher at Budapest University of Technology and Economics
  • 2010-present, research group leader and research advisor at Wigner Research Centre for Physics, Institute for Solid State Physics and Optics, Hungarian Academy of Sciences
  • 2010-2019, (part time) associate professor at Budapest University of Technology and Economics
  • 2019-present, (part time) professor at Budapest University of Technology and Economics
• affiliation:
  • Wigner Research Centre for Physics, Institute for Solid State Physics and Optics, Hungarian Academy of Sciences
    tel.: [36]-(1)-392-2222/1913, [36]-(1)-392-2215
    email: agali@eik.bme.hu
• field: quantum mechanical calculation on defects in silicon, wide band gap semiconductors and semiconductor nanostructures; Semi-empirical and ab initio methods; Hartree-Fock-Roothan theory, Density Functional Theory (DFT), methods beyond standard DFT: hybrid functionals, GW-method, TDDFT; fabrication of silicon carbide (nano)powder and related materials
• projects led as principal investigator:
  • OTKA = Hungarian Scientific Research Fund; MTA = Hungarian Academy of Sciences
  • OTKA No. F38357: Theoretical investigation of point defects, their agglomerates and their effects on optical properties in irradiated silicon carbide by means of quantum mechanical calculations, 2002-2005; evaluated as excellent
  • MTA-DFG bilateral project No. 112: Formation and passivation mechanisms of charge carrier traps during thermal oxidation of 4H-SiC, 2004-2007
  • OTKA No. K67886: Investigation of point defects in wide band gap materials by methods beyond the standard density functional theory, 2007-2011; evaluated as excellent
  • MTA-DFG bilateral project No. 436: Investigation of semiconductor nanocrystals embedded in a SiO₂ matrix, 2008-2010
  • MTA establishment fund (Momentum program): Design and characterization of semiconductor nanostructures for biomarker, solar cell and magnetometer applications, 2010-
  • Distributed European Infrastructure for Supercomputing Application: The optical properties of group IV semiconductor nanocrystals - an ab initio many-body approach, 2010-2011
  • EU FP7 No. 270197: DIAMANT-Diamond based atomic nanotechnologies, 2011-2014
  • PRACE Distributed European Computing Initiative (DECI-7) project DIAVIB, 2011-2012
  • OTKA No. K101819: Design, fabrication and analysis of luminescent silicon carbide nanocrystals for in vivo biomarker applications, 2012-2016; evaluated as excellent
  • OTKA No. K106114: Development of novel silicon carbide nanomarkers and more effective glutamate and GABA uncaging materials for measurement of neuronal network activity and dendritic integration with three-dimensional real-time two-photon microscopy
  • EU FP7 No. 611143: DIADEMS-Diamond devices enabled metrology and sensing, 2013-2017
  • Visegrad Group (V4) + Japan Joint Research Project on Advanced Materials: Nanophotonics with metal - group IV-semiconductor nanocomposites: From single nanoobjects to functional ensembles (NaMSeN), 2015-2018; NKFIH Grant No. NN118161
  • NVKP project: Development of fluorescent dyes and microscope for the treatment of epilepsy, 2017-2019; NKFIH Grant No. NVKP_16-1-2016-0043
  • NKP National Quantumtechnology Program: Creation and distribution of quantum bits and development of quantum information networks, 2017-2021; NKFIH Grant No. 2017-1.2.1-NKP-2017-00001
  • EU QuantERA project: Scalable Electrically Read Diamond Spin Qubit Technology for Single Molecule Imagers, 2018-2021; NKFIH Grant No. NN127889
  • EU QuantERA project: Spin-based nanolytics - Turning today's quantum technology research frontier into tomorrow's diagnostic devices, 2018-2021; NKFIH Grant No. 127902
  • EU H2020 Grant No. 820394: ASTERIQS-Advancing Science and Technology through diamond Quantum Sensing, 2018-2021
  • National Institute of Health Award No. 1R21CA223969-01A1, Enabling NIR-PT Therapy to Treat Deep Tissue Cancer, 2018-2020
  • National Excellence Program: Quantum-coherent materials, 2019-2023; NKFIH Grant No. KKP129866
  • EU H2020 Grant No. 862721: QuanTelCO-Quantum Emitters for Telecommunication in the O-Band, 2019-2022
  • COST Action FIT4NANO (Grant No. CA19140): MC member of Hungary in Focused Ion Technology for Nanomaterials, 2020-2024
  • FWO (Flanders) Grant No. G0A0520N (co-PI): Spin Driving in Quantum-Coherent Materials, 2020-2023
  • EU HE HORIZON-EIC-2021-PATHFINDEROPEN-01-01 Grant No. 101046911: QuMicro-Quantum Microwave Detection with Diamond Spins, 2022-2025
  • EU QuantERA project: MAESTRO-Mastering Technologies for Scalable Spin-based Solid-state Quantum Processors, 2022-2025
  • EU QuantERA project: Sensextreme-Quantum sensing with diamond defects at extreme conditions, 2022-2025
  • EUREKA 2021-17465/NP/BILAT_HU_DE_1 project: quNV2.0-New generation quantum microscope, 2023-2026; NKFIH Grant No. 2020-1.2.3-EUREKA-2022-00022
  • EU HE HORIZON-CL4-2023-DIGITAL-EMERGING-01-41 Grant No. 101135699: SPINUS-Spin based quantum computer and simulator, 2024-2028
• invited lectures and seminars:
  • Basic properties and quantum control of diamond qubits, Quantum Innovation 2023, Tokyo (Japan), November 15-17, 2023
  • Theory of quantum bits in diamond, "Quantum-coherent structures: Quantum computing" Workshop, University of Leipzig, Germany, September 28-29, 2023
  • Theoretical magneto-optical spectroscopy of solid state defect quantum bits, Eddleman Quantum Institute (EQI) Workshop, Chateau de Balleroy, France, September 7-10, 2023
  • Quantum sensors from nitrogen-vacancy center in diamond: theory, RAISIN 2023, Guildford (UK), September 6-8, 2023
  • Theoretical magneto-optical spectroscopy of solid state defect quantum bits, Theory of Condensed Matter Seminar at Cambridge University, Cambridge (UK), June 8, 2023
  • Defect spins and qubits in hBN from first principles theory guiding experiments, BNW2023 - Workshop on Boron Nitride, Montpellier (France), May 29 - June 2, 2023
  • Control of near-surface nitrogen-vacancy quantum sensor in diamond, Trends in Quantum Matter, Stavropoulos Center for Quantum Matter at University of Notre Dame, Notre Dame (USA), May 18-19, 2023
  • Defect spins and qubits in hexagonal boron nitride from first principles theory guiding experiments, Defects in Two-dimensional Materials - 750. WE-Heraeus-Seminar, Bad Honnef (Germany), May 8-12, 2023
  • Ab initio theory of colour centres in diamond, Theo Murphy Conference - Diamond for Quantum Applications, Whittlebury Park (UK), October 10-11, 2022
  • Rejuvenation of the magneto-optical spectroscopy of silicon defects: promising single photon sources and qubits, European Materials Research Society Fall Meeting 2022, Warsaw (Poland), 19-22 September, 2022
  • Theoretical magneto-optical spectroscopy for solid state defect qubits, 50th International School and Conference on the Physics of Semiconductors, "Jaszowiec 2022", Szczyrk (Poland), 4-10 June, 2022
  • Physics of defect qubits: the nature and role of electron-phonon coupling, Material Research Quantum Staging Group Workshop, Honolulu (USA), May 8, 2022
  • Influence of surface termination on spin properties of NV centers in diamond, Materials Research Society Spring Meeting 2022, Honolulu (USA), May 8-13, 2022
  • Quantum emitters in three- and two-dimensional materials, Materials Research Society Spring Meeting 2022, Honolulu (USA), May 8-13, 2022
  • Theoretical magneto-optical spectroscopy of solid state defect quantum bits, APS March Meeting 2022, Chicago (USA), March 14-18, 2022
  • Near-infrared wavelength quantum emitters, Materials Research Society Fall Meeting 2021, Boston (USA), November 30 - December 3, 2021
  • Inversion symmetric color centers in diamond for quantum technology, Materials Research Society Fall Meeting 2021, Boston (USA), November 30 - December 3, 2021
  • Ab initio theory of NV center and other centers, Tutorial lecture, ASTERIQS School on Solid-State Spins, Cargèse, Corsica (France), November 2, 2021
  • Solid state defect qubits - toward full ab initio description, Tutorial lecture, 31st International Conference on Defects in Semiconductors, Oslo (Norway), July 26, 2021
  • The theory of solid state defect qubits, Computational Atomic-scale Materials Design (CAMD) webinar, Technical University of Denmark (DTU) Physics, March 8, 2021
  • First principles calculation of highly anisotropic g-tensor of Kramers doublet transition metals in hexagonal SiC, International Conference on Silicon Carbide and Related Materials 2019, Kyoto (Japan), September 28 - October 4, 2019
  • Novel color centers in diamond for communication and sensing, European Materials Research Society Fall Meeting 2019, Warsaw (Poland), September 16-19, 2019
  • Theory of silicon-vacancy and related colour centres in diamond, 30th International Conference on Diamond and Carbon Materials, Sevilla (Spain), September 10-14, 2019
  • The progress in ab initio description of solid state defect qubits, 30th International Conference on Defects in Semiconductors, Seattle (United States), July 21-26, 2019
  • Ab initio study of defect qubits for hyperpolarization and quantum sensing, Gordon Research Conference on Quantum Sensing, Hong Kong (China), June 2-6, 2019
  • Ab initio study of defect qubits for hyperpolarization, quantum sensing and communication, QDiamond Workshop, Tel Aviv (Israel), May 13-16, 2019
  • Theory of electrical readout of deep defect qubits in solids, APS March Meeting, Boston (USA), March 4-8, 2019
  • Ab initio study of SiC qubits for hyperpolarization, quantum sensing and communication, The Royal Society Theo Murphy Meeting on "SiC quantum spintronics: towards quantum devices in a technological material", Kavli Royal Society Centre, Chicheley Hall (UK), November 5-6, 2018
  • Ab initio theory of intersystem crossing in NV center in diamond, OSA Incubator Meeting, Defects by Design: Quantum Nanophotonics in Emerging Materials, Washington, DC (USA), October 28-30, 2018
  • Ab initio theory on heavily co-doped silicon nanocrystals, 9th European Symposium on Si, Saarbrücken (Germany), September 9-12, 2018
  • Toward full ab initio description of qubits in solids, CECAM-Workshop on Crystal defects for qubits, single photon emitters and nanosensors, Bremen (Germany), July 9-13, 2018
  • Theory on the optical spin-polarization loop of the nitrogen-vacancy center in diamond, 25th Central European Workshop on Quantum Optics, Mallorca (Spain), May 21-25, 2018
  • Closing the loop - ab initio theory on NV center in diamond, QDiamond Workshop 2018, Tel Aviv (Israel), April 23-27, 2018
  • Ab initio theory of nitrogen-vacancy qubit in diamond, Condensed Matter Physics Journal Club Seminar at 4:00 PM in PAB 4-330, UCLA, Los Angeles (USA), March 14, 2018
  • Nitrogen-Vacancy Diamond Sensor - Novel Diamond Surfaces, Workshop on Controlled Fabrication of N-V Centers in Diamond, UCLA, Los Angeles (USA), March 10-11, 2018
  • Dopant-Vacancy Centers Spin in Diamond: Ab Initio Theory, Materials Research Society Fall Meeting 2017, Boston (USA), November 26 - December 1, 2017
  • Theory and application of dynamic optical spin polarization for solid state qubits, ICQOQI'2017, Minsk (Belorus), November 20 - 23, 2017
  • Point defect qubit based optical dynamic nuclear spin polarization, Saulrėtekio Puslaidininkių Physics Seminar, Center for Physical Sciences and Technology, Vilnius (Lithuania), November 15, 2017
  • Ab-initio simulations of point defects in solids acting as quantum bits, 64th AVS international Symposium, Tampa (USA), October 29 - November 3, 2017
  • Dopant-Vacancy Centers Spin in Diamond: Ab Initio Theory, Gordon Research Conference: Quantum Sensing, Hong Kong (China), July 2-6, 2017
  • Nitrogen-Vacancy Diamond Sensor - Novel Diamond Surfaces and Interaction with Spins, Materials Research Society Spring Meeting 2017, Phoenix (USA), April 17-21, 2017
  • Ab-initio simulations on SiC qubits, Helmholtz-Zentrum Dresden-Rossendorf (Germany), December 8-9, 2016
  • Design and characterization of nanostructures: theory and experiment hand in hand, European Materials Research Society Fall Meeting, Warsaw (Poland), September 18-22, 2016
  • Kvantumtechnológiai rendszerek: szimuláció és kísérleti megvalósítás (Quantum technology: simulation and experimental realisation), in Hungarian Physics Meeting, Szeged (Hungary), August 24-27, 2016
  • Ab initio theory on point defects acting as qubits, Gordon Research Conference on Defects in Semiconductors, Colby-Sawyer College (USA), August 14-19, 2016
  • Optical dynamic nuclear spin polarization: theory driven new findings, Quantum Diamond, Pilanesberg (South Africa), April 4-8, 2016
  • Silicon carbide - a platform to integrate quantum and semiconductor electronics, Naval Research Laboratory Seminar, Washington DC (USA), March 21, 2016
  • Defects in diamond and silicon carbide for quantum computing and sensing, International Conference on Defects in Semiconductors, Espoo (Finnland), July 26-31, 2015
  • Ab-initio theory of SiC quantum information technology, First International Symposium on SiC Spintronics, Vadstena (Sweden), June 15-17, 2015
  • Ab-initio theory of solid state quantum bits, Nothing is perfect - The quantum mechanics of defects, Ascona (Switzerland), April 26-29, 2015
  • Ab Initio Quantum Mechanical Simulations on Diamond Surfaces for NV-Based Sensing, Materials Research Society Spring Meeting, San Francisco (USA), April 6-10, 2015
  • Point defects in silicon carbide for realizing solid state quantum bits and quantum metrology, Seminar at Pittsburgh University, Allen Hall 321 (USA), March 6, 2015
  • Strongly correlated materials: very promising new candidates for efficient solar cells, EMN Meeting on Photovoltaics, Orlando (USA), January 12-15, 2015
  • Silicon carbide quantum dots: new type of light emitting nanostructure, Biophysics Workshop at Pontificia Universidad Catolica de Chile, Santiago (Chile), September 24-26, 2014
  • A route for integration of classical and quantum technologies operating at ambient conditions, Centre for Quantum Computation & Communication Technology, University of Melbourne (Australia), August 25, 2014
  • Properties of nitrogen-vacancy center as a function of surface termination of diamond and other external perturbations: ab-initio simulations, QDiamond 14, Lamington National Park (Australia), August 18-22, 2014
  • Quantum mechanical simulations of solid state quantum bits, Harvard Quantum Optics Center Seminar, Harvard University, Boston (USA), March 6, 2014
  • Qubit control in phosphorus doped silicon nanowires, APS March Meeting, Denver (USA), March 3-7, 2014
  • Colour centres in bulk and nanocrystalline diamonds, Hasselt Diamond Workshop 2014, Hasselt (Belgium), February 19-21, 2014
  • Ab-initio characterization of silicon-vacancy and nickel-related defects in bulk and nanostructured diamonds, Materials Research Society Fall Meeting, Boston (USA), December 1-4, 2013
  • Félvezetőbeli egyfoton-kibocsátó centrumok azonosítása és jellemzése ab-initio módszerekkel (Identification and characterization of solid state single photon emitters by means of ab-initio methods), in SZTE TTIK Phyiscs Departments Seminar, Szeged (Hungary), November 7, 2013
  • Calculation of the zero-field splitting of point defects from first principles: application to NV center in diamond and related systems, in QDiamond Workshop, Hefei-Huangshan (China) October 13-17, 2013
  • Ultrasensitive sensors and single photon emitters in diamond and silicon carbide, in Osaka University, Osaka (Japan), October 7, 2013
  • Designing luminescent in vivo biomarkers from ab initio calculations: prediction from theory and experiments, in California Nanosystems Institute, Santa Barbara (USA), April 8, 2013
  • Characterization of color centres in diamond from first principles, QDiamond Workshop, Bonamanzi Lodge, South Africa, 2-8 December, 2012
  • Optical excitation and electro-luminescence of single nitrogen-vacancy defect in diamond: theory in California Nanosystems Institute, Santa Barbara (USA), April 20, 2012
  • Theory of point defects in SiC: from power industry to quantum bits in Van de Walle group seminar, University of California -- Santa Barbara (USA), April 18, 2012
  • Ab initio study of silicon-vacancy defect in bulk and nano diamonds in Physics Seminar of Pontificia Universidad Catolica de Santiago, Santiago (Chile), December 7, 2011
  • Trends in materials science: atomistic simulations in Autumn School of Roland Eötvös Physical Society, October 3-6, 2011
  • Transition metal defects in cubic and hexagonal polytypes of SiC in International Conference of Silicon Carbide and Related Materials 2011, Cleveland (USA), September 10-16, 2011
  • Optical excitations of nitrogen-vacancy center in diamond at Atominstitut Wien, Atomic Physics Seminar, June 3, 2011
  • Optical excitations of nitrogen-vacancy center in diamond at UC Berkeley, Atomic and Molecular Physics Seminar, April 20, 2011
  • Ab initio theory of nitrogen-vacancy defect in diamond at 476th Wilhelm and Else Heraeus Seminar - Diamond - spintronics, photonics, bio-applications, Physikzentrum Bad Honnef (Germany), April 4-7, 2011
  • Quantum mechanical calculations on semiconductor structures: spintronics, biomarker and solar cell applications in Stuttgart University at Prof. J. Wrachtrup group, Stuttgart (Germany), November 23, 2010
  • Theory of Nitrogen-Vacancy Center in Diamond in ITAMP Workshop of "Artificial atoms in diamond: from quantum physics to applications", Harvard-Smithsonian Center for Astrophysics, Institute of Atomic, Molecular and Optical Physics, Harvard University, Cambridge (USA), November 11-13, 2010
  • Design and characterization of semiconductor nanostructures for biomarker, solar cell and magnetometer applications in Roland Eötvös Science University at Ortvay colloquium, Budapest (Hungary), October 7, 2010
  • Defects in SiC: theory in European Conference of Silicon Carbide and Related Materials 2010, Oslo (Norway), August 29 - September 2, 2010
  • Theory of Defects in SiC in Light and Energy from Novel Semiconductors (LENS) Summer School, Oslo (Norway), August 27-29, 2010
  • Dopants in Si nanowires in CECAM Workshop of "Dopants and Impurities in Semiconducting Nanowires", Lausanne (Switzerland), July 6-8, 2009
  • Point Defects in SiC in Materials Research Society Spring Meeting, San Francisco (USA), March 24-28, 2008
  • Simulation of atomic processes in semiconductors in UC Davis Condensed Matter Seminar, Davis (USA), June 7, 2007
  • Point Defects and Their Aggregation in Silicon Carbide in European Conference of Silicon Carbide and Related Materials 2006, NewCastle (UK), September 4-9, 2006
  • Antisites as possible origin of irradiation induced photoluminescence centers in 4H-SiC: A theoretical study on clusters of antisites and carbon interstitials in International Conference of Silicon Carbide and Related Materials 2003, Lyon (France), October 5-10, 2003
• awards:
  • Special Award from the Rector of the Technical University of Budapest, 1995
  • Scholarship of the Republic, 1995-1996
  • Award of the Hungarian Technical Progress Foundation, 1994-1995 and 1995-1996
  • Award of György Ferenczi Foundation for the young talented solid state physicists, 1996
  • TEMPUS scholarship, 1997
  • Scholarship of George Soros, 1999-2000
  • Award of the Hungarian Academy of Sciences for the young researcher, 2001
  • Postdoctoral Scholarship of György Békésy, 2001-2004
  • International Dennis Gabor Award, 2003
  • Postdoctoral Research Scholarship of János Bolyai, 2004-2007
  • Eötvös Scholarship of the Hungarian State, 2007
  • Postdoctoral fellowship of Harvard University, 2007
  • Talentum-Award of the Hungarian Academy of Sciences, 2008
  • Bolyai-Plaquette from the Hungarian Academy of Sciences, 2008
  • Cross of Merit of the Hungarian Republic, Gold grade, 2008
  • HAESF Fellowship at Harvard University, 2008-2009
  • Postdoctoral Research Scholarship of János Bolyai, 2009-2011
  • Establishment fund to set-up a new research group ("Lendület program" or Momentum program) at the Research Institute for Solid State Physics and Optics of the Hungarian Academy of Sciences, 2010-2015
  • Guest Professor at Max-Planck-Institute Stuttgart, 2011-2013
  • Guest Professor at Linköping University (Sweden), 2012-2017
  • National Excellence Program, Frontier project, 2019-2023
  • APS Outstanding Referee, 2022
• role in scientific community:
  • member of HAS' public body, member of Dennis Gabor Club, member of Sigma Xi Hungarian Chapter
  • member of Roland Eötvös Physical Society
  • member of Materials Research Society (USA)
  • member of American Physical Society
  • member of European Conference on Silicon Carbide and Related Materials Steering and Program Committee
  • member of International Conference on Silicon Carbide and Related Materials Program Committee
  • vice representative of Hungary in Quantum Community Network
• languages: Hungarian, English and German fluently
• International cooperations:
  • University of Pittsburgh, Prof. W. J. Choyke experimental group
  • University of Linköping, Prof. Erik Janzén experimental group
  • Harvard University, Prof. Michael Lukin experimental group
  • University of Chicago, Prof. David D. Awschalom experimental group
  • University of Stuttgart, Prof. Jörg Wrachtrup experimental group
  • University of Ulm, Prof. Fedor Jelezko experimental group
  • Hasselt University, Prof. Milos Nesladek experimental group
  • Kaunas University of Technology, Dr. Audrius Alkauskas theoretician group
  • University of Erlangen-Nürnberg, Dr. Michel Bockstedte theoretician group
  • RMIT, Stefania Castalletto experimental group
  • University of Melbourne, Brett C. Johnson experimental group

  ---

  Publication activities

  
  

  Five most important papers in last five years:

  • Recent advances in the ab initio theory of solid-state defect qubits
    Ádám Gali
    Nanophotonics 12, 359-397 (2023). DOI:10.1515/nanoph-2022-0723

  • Carbon defect qubit in two-dimensional WS₂
    Song Li, Gergô Thiering, Péter Udvarhelyi, Viktor Ivády and Adam Gali
    Nature Communications 13, 1210 (2022).

  • Stabilization of point-defect spin qubits by quantum wells
    Viktor Ivády, Joel Davidsson, Nazar Delegan, Abram L. Falk, Paul V. Klimov, Samuel J. Whiteley, Stephan O. Hruszkewycz, Martin V. Holt, F. Joseph Heremans, Nguyen Tien Son, David D. Awschalom, Igor A. Abrikosov and Adam Gali
    Nature Communications 10 5607 (2019). DOI:10.1038/s41467-019-13495-6

  • Ab initio theory of the nitrogen-vacancy center in diamond
    Adam Gali
    Nanophotonics 8 1907-1943 (2019). DOI:10.1515/nanoph-2019-0154

  • Ab Initio Magneto-Optical Spectrum of Group-IV Vacancy Color Centers in Diamond
    Gergô Thiering and Adam Gali
    Physical Review X 8 021063 (2018).

  
  

  Book, chapters in a book:

  • Point Defects in Silicon Carbide for Quantum Technology (Chapter 17)
    András Csóré and Adam Gali
    in Wide Bandgap Semiconductors for Power Electronics: Materials, Devices, Applications, Volume 1 edited by Peter Wellmann, Noboru Ohtani, Roland Rupp (2021)

  • Defects in SiC
    E. Janzén, A. Gali, A. Henry, I. G. Ivanov, B. Magnusson, and N. T. Son
    in Defects in Microelectronic Materials and Devices edited by Daniel M. Fleetwood, Sokrates T. Pantelides, and Ronald D. Schrimpf (Taylor and Francis/CRC press 2008)

  • Hydrogen in SiC (Chapter 3)
    P. Deák, A. Gali, and B. Aradi
    in Recent Major Advances in SiC edited by W. J. Choyke, H. Matsunami, and G. Pensl (Springer-Verlag Berlin Heidelberg 2004)

  
  

  Papers:

  • Diamond surface functionalization via visible light-driven C-H activation for nanoscale quantum sensing
    Lila V. H. Rodgers, Suong T. Nguyen, James H. Cox, Kalliope Zervas, Zhiyang Yuan, Sorawis Sangtawesin, Alastair Stacey, Cherno Jaye, Conan Weiland, Anton Pershin, Adam Gali, Lars Thomsen, Simon A. Meynell, Lillian B. Hughes, Ania C. Bleszynski Jayich, Xin Gui, Robert J. Cava, Robert R. Knowles, and Nathalie P. de Leon
    Proceedings of the National Academy of Sciences 121, e2316032121 (2024). DOI:10.1073/pnas.231603212

  • Exceptionally strong coupling of defect emission in hexagonal boron nitride to stacking sequences
    Song Li, Anton Pershin, Pei Li and Adam Gali
    npj 2D Materials and Applications 8, 16 (2024).

  • Strain engineering for transition-metal defects in SiC
    Benedikt Tissot, Péter Udvarhelyi, Adam Gali, and Guido Burkard
    Physical Review B 109, 054111 (2024).

  • Challenges in advancing our understanding of atomic-like quantum systems: Theory and experiment
    Adam Gali, André Schleife, Andreas J. Heinrich, Arne Laucht, Bruno Schuler, Chitraleema Chakraborty, Christopher P. Anderson, Corentin Déprez, Jeffrey McCallum, Lee C. Bassett, Mark Friesen, Michael E. Flatté, Peter Maurer, Susan N. Coppersmith, Tian Zhong, Vijaya Begum-Hudde & Yuan Ping
    MRS Bulletin 49 (2024). DOI:10.1557/s43577-023-00659-5

  • Spin-orbit coupling and Jahn-Teller effect in Td symmetry: an ab initio study on the substitutional nickel defect in diamond
    Gergô Thiering and Adam Gali
    Philosphical Transactions of the Royal Society A 382, 20220310 (2024).

  • Resonant Versus Non-resonant Spin Readout of a Nitrogen-Vacancy Center in Diamond Under Cryogenic Conditions
    Richard Monge, Tom Delord, Gergô Thiering, Ádám Gali, and Carlos A. Meriles
    Physical Review Letters 131, 236901 (2023).

  • Editors' suggestion: Physically motivated analytical expression for the temperature dependence of the zero-field splitting of the nitrogen-vacancy center in diamond
    M. C. Cambria, G. Thiering, A. Norambuena, H. T. Dinani, A. Gardill, I. Kemeny, V. Lordi, Á. Gali, J. R. Maze, and S. Kolkowitz
    Physical Review B 108, L180102 (2023).

  • X-ray quantification of oxygen groups on diamond surfaces for quantum applications
    N. Dontschuk, L. V. H. Rodgers, J.-P. Chou, D. A. Evans, K. M. O'Donnell, H. J. Johnson, A. Tadich, A. K. Schenk, A Gali, N. P. de Leon and A. Stacey
    Materials for Quantum Technology 3, 045901 (2023).

  • Optically Active Spin Defects in Few-Layer Thick Hexagonal Boron Nitride
    A. Durand, T. Clua-Provost, F. Fabre, P. Kumar, J. Li, J. H. Edgar, P. Udvarhelyi, A. Gali, X. Marie, C. Robert, J. M. Gérard, B. Gil, G. Cassabois, and V. Jacques
    Physical Review Letters 7, 116902 (2023).

  • Positively charged carbon vacancy defect as a near-infrared emitter in 4H-SiC
    Meysam Mohseni, Péter Udvarhelyi, Gergô Thiering, and Adam Gali
    Physical Review Materials 7, 096202 (2023).

  • A planar defect spin sensor in a two-dimensional material susceptible to strain and electric fields
    Péter Udvarhelyi, Tristan Clua-Provost, Alrik Durand, Jiahan Li, James H. Edgar, Bernard Gil, Guillaume Cassabois, Vincent Jacques and Adam Gali
    npj Computational Materials 9, 150 (2023).

  • Carbon cluster emitters in silicon carbide
    Pei Li, Péter Udvarhelyi, Song Li, Bing Huang, and Adam Gali
    Physical Review B 108, 085201 (2023).

  • Formation of Paramagnetic Defects in the Synthesis of Silicon Carbide
    Nain Mukesh, Bence G. Márkus, Nikoletta Jegenyes, Gábor Bortel, Sarah M. Bezerra, Ferenc Simon, David Beke, and Adam Gali
    Micromachines 14, 1517 (2023).

  • Ab Initio Study of (100) Diamond Surface Spins
    Jyh-Pin Chou, Péter Udvarhelyi, Nathalie P. de Leon, and Adam Gali
    Physical Review Applied 20, 014040 (2023).

  • Amino-Termination of Silicon Carbide Nanoparticles
    Szabolcs Czene, Nikoletta Jegenyes, Olga Krafcsik, Sándor Lenk, Zsolt Czigány, Gábor Bortel, Katalin Kamarás, János Rohonczy, David Beke, and Adam Gali
    Nanomaterials 13, 1953 (2023).

  • Temperature-Dependent Spin-Lattice Relaxation of the Nitrogen-Vacancy Spin Triplet in Diamond
    M.C. Cambria, A. Norambuena, H.T. Dinani, G. Thiering, A. Gardill, I. Kemeny, Y. Li, V. Lordi, Á. Gali, J.R. Maze, and S. Kolkowitz
    Physical Review Letters 130, 256903 (2023).

  • The Role of Electrolytes in the Relaxation of Near-Surface Spin Defects in Diamond
    Fabian A. Freire-Moschovitis, Roberto Rizzato, Anton Pershin, Moritz R. Schepp, Robin D. Allert, Lina M. Todenhagen, Martin S. Brandt, Adam Gali, and Dominik B. Bucher
    ACS Nano 17, 10474-10485 (2023) DOI:10.1021/acsnano.3c01298

  • Coherent control of an ultrabright single spin in hexagonal boron nitride at room temperature
    Nai-Jie Guo, Song Li, Wei Liu, Yuan-Ze Yang, Xiao-Dong Zeng, Shang Yu, Yu Meng, Zhi-Peng Li, Zhao-An Wang, Lin-Ke Xie, Rong-Chun Ge, Jun-Feng Wang, Qiang Li, Jin-Shi Xu, Yi-Tao Wang, Jian-Shun Tang, Adam Gali, Chuan-Feng Li, and Guang-Can Guo
    Nature Communications 14, 2893 (2023) DOI:10.1038/s41467-023-38672-6

  • Investigation of oxygen-vacancy complexes in diamond by means of ab initio calculations
    Nima Ghafari Cherati, Gergô Thiering, and Ádám Gali
    Journal of Physics: Condensed Matter 35, 315502 (2023) DOI:10.1088/1361-648X/acd1cc

  • Non-covalent Functionalization of Pristine and Defective WSe₂ by Electron Donor and Acceptor Molecules
    Amine Slassi, Adam Gali, Jérôme Cornil, and Anton Pershin
    ACS Applied Electronic Materials 5, 1660-1669 (2023)

  • A Telecom O-Band Emitter in Diamond
    Sounak Mukherjee, Zi-Huai Zhang, Daniel G. Oblinsky, Mitchell O. de Vries, Brett C. Johnson, Brant C. Gibson, Edwin L. H. Mayes, Andrew M. Edmonds, Nicola Palmer, Matthew L. Markham, Ádám Gali, Gergô Thiering, Adam Dalis, Timothy Dumm, Gregory D. Scholes, Alastair Stacey, Philipp Reineck, and Nathalie P. de Leon
    Nano Letters 23, 2557-2562 (2023). DOI:10.1021/acs.nanolett.2c04608

  • Controlled Surface Modification to Revive Shallow NV^- Centers
    Jeffrey Neethi Neethirajan, Toni Hache, Domenico Paone, Dinesh Pinto, Andrej Denisenko, Rainer Stöhr, Péter Udvarhelyi, Anton Pershin, Adam Gali, Joerg Wrachtrup, Klaus Kern, and Aparajita Singha
    Nano Letters 23, 2563-2569 (2023). DOI:10.1021/acs.nanolett.2c04733

  • Recent advances in the ab initio theory of solid-state defect qubits
    Ádám Gali
    Nanophotonics 12, 359-397 (2023). DOI:10.1515/nanoph-2022-0723

  • The kinetics of carbon pair formation in silicon prohibits reaching thermal equilibrium
    Peter Deák, Péter Udvarhelyi, Gergô Thiering, and Adam Gali
    Nature Communications 14, 361 (2023).

  • Exploiting ionization dynamics in the nitrogen vacancy center for rapid, high-contrast spin, and charge state initialization
    D. Wirtitsch, G. Wachter, S. Reisenbauer, M. Gulka, V. Ivády, F. Jelezko, A. Gali, M. Nesladek, and M. Trupke
    Physical Review Research 5, 013014 (2023).

  • An L-band emitter with quantum memory in silicon
    Péter Udvarhelyi, Anton Pershin, Péter Deák, and Adam Gali
    npj Computational Materials 8, 262 (2022).

  • Editors' suggestion: Optical properties of SiV and GeV color centers in nanodiamonds under hydrostatic pressures up to 180 GPa
    Baptiste Vindolet, Marie-Pierre Adam, Loïc Toraille, Mayeul Chipaux, Antoine Hilberer, Géraud Dupuy, Lukas Razinkovas, Audrius Alkauskas, Gergô Thiering, Adam Gali, Mary De Feudis, Midrel Wilfried Ngandeu Ngambou, Jocelyn Achard, Alexandre Tallaire, Martin Schmidt, Christoph Becher, and Jean-François Roch
    Physical Review B 106, 214109 (2022).

  • Featured in Physics: Probing Spin Dynamics on Diamond Surfaces Using a Single Quantum Sensor
    Bo L. Dwyer, Lila V.H. Rodgers, Elana K. Urbach, Dolev Bluvstein, Sorawis Sangtawesin, Hengyun Zhou, Yahia Nassab, Mattias Fitzpatrick, Zhiyang Yuan, Kristiaan De Greve, Eric L. Peterson, Helena Knowles, Tamara Sumarac, Jyh-Pin Chou, Adam Gali, V.V. Dobrovitski, Mikhail D. Lukin, and Nathalie P. de Leon
    PRX Quantum 3, 040328 (2022).

  • Defect engineering of second-harmonic generation in nonlinear optical semiconductors
    Pei Li, Xiao Jiang, Menglin Huang, Lei Kang, Shiyou Chen, Adam Gali, and Bing Huang
    Cell Reports Physical Science 3, 101111 (2022).

  • Excitation spectra of fully correlated donor-acceptor complexes by density matrix renormalisation group
    Gergely Barcza, Anton Pershin, Adam Gali, and Örs Legeza
    Molecular Physics on-line, e2130834 (2022). DOI:10.1080/00268976.2022.2130834

  • Identification of an Oxygen Defect in Hexagonal Boron Nitride
    Song Li and Adam Gali
    The Journal of Physical Chemistry Letters 13, 9544-9551 (2022).

  • Coherent dynamics of multi-spin V_B^- center in hexagonal boron nitride
    Wei Liu, Viktor Ivády, Zhi-Peng Li, Yuan-Ze Yang, Shang Yu, Yu Meng, Zhao-An Wang, Nai-Jie Guo, Fei-Fei Yan, Qiang Li, Jun-Feng Wang, Jin-Shi Xu, Xiao Liu, Zong-Quan Zhou, Yang Dong, Xiang-Dong Chen, Fang-Wen Sun, Yi-Tao Wang, Jian-Shun Tang, Adam Gali, Chuan-Feng Li, and Guang-Can Guo
    Nature Communications 13, 5713 (2022).

  • Bistable carbon-vacancy defects in h-BN
    Song Li and Adam Gali
    Frontiers in Quantum Science and Technology 30, 1007756 (2022). DOI:10.3389/frqst.2022.1007756

  • Front Cover Art: Super-Resolution Airy Disk Microscopy of Individual Color Centers in Diamond
    Aedan Gardill, Ishita Kemeny, Yanfei Li, Maryam Zahedian, Matthew C. Cambria, Xiyu Xu, Vincenzo Lordi, Ádám Gali, Jeronimo R. Maze, Jennifer T. Choy, and Shimon Kolkowitz
    ACS Photonics 9, 3848-3854 (2022).

  • Decoherence of V_B^- spin defects in monoisotopic hexagonal boron nitride
    A. Haykal, R. Tanos, N. Minotto, A. Durand, F. Fabre, J. Li, J. H. Edgar, V. Ivády, A. Gali, T. Michel, A. Dréau, B. Gil, G. Cassabois, and V. Jacques
    Nature Communications 13, 4347 (2022).

  • Optimization of Chromium-Doped Zinc Gallate Nanocrystals for Strong Near-Infrared Emission by Annealing
    Mátyás M. Rudolf, Gábor Bortel, Bence G. Márkus, Nikoletta Jegenyes, Vladimir Verkhovlyuk, Katalin Kamarás, Ferenc Simon, Adam Gali, and David Beke
    ACS Applied Nano Materials 5, 8950-8961 (2022). DOI:10.1021/acsanm.2c01156

  • Detection of Single W-Centers in Silicon
    Yoann Baron, Alrik Durand, Péter Udvarhelyi, Tobias Herzig, Mario Khoury, Sébastien Pezzagna, Jan Meijer, Isabelle Robert-Philip, Marco Abbarchi, Jean-Michel Hartmann, Vincent Mazzocchi, Jean-Michel Gérard, Adam Gali, Vincent Jacques, Guillaume Cassabois, and Anaïs Dréau
    ACS Photonics 9, 2337-2345 (2022). DOI:10.1021/acsphotonics.2c00336

  • Room temperature coherent manipulation of single-spin qubits in silicon carbide with a high readout contrast
    Qiang Li, Jun-Feng Wang, Fei-Fei Yan, Ji-Yang Zhou, Han-Feng Wang, He Liu, Li-Ping Guo, Xiong Zhou, Adam Gali, Zheng-Hao Liu, Zu-Qing Wang, Kai Sun, Guo-Ping Guo, Jian-Shun Tang, Hao Li, Li-Xing You, Jin-Shi Xu, Chuan-Feng Li, Guang-Can Guo
    National Science Review 9, nwab122 (2022). DOI:10.1093/nsr/nwab122

  • Fluorescence spectrum and charge state control of divacancy qubits via illumination at elevated temperatures in 4H silicon carbide
    A. Csóré, I. G. Ivanov, N. T. Son, and A. Gali
    Physical Review B 105, 165108 (2022).

  • Ultraviolet Quantum Emitters in Hexagonal Boron Nitride from Carbon Clusters
    Song Li, Anton Pershin, Gergô Thiering, Péter Udvarhelyi, and Adam Gali
    The Journal of Physical Chemistry Letters 13, 3150-3157 (2022).

  • Carbon defect qubit in two-dimensional WS₂
    Song Li, Gergô Thiering, Péter Udvarhelyi, Viktor Ivády and Adam Gali
    Nature Communications 13, 1210 (2022).

  • Photoluminescence spectrum of divacancy in porous and nanocrystalline cubic silicon carbide
    András Csóré, Nain Mukesh, Gyula Károlyházy, David Beke, and Adam Gali
    Journal of Applied Physics 131, 071102 (2022).

  • Ultrahigh nitrogen-vacancy center concentration in diamond
    S. Kollarics, F. Simon, A. Bojtor, K. Koltai, G. Klujber, M. Szieberth, B. G. Márkus, D.Beke, K.Kamarás, A. Gali, D.Amirari, R. Berry, S. Boucher, D. Gavryushkin, G. Jeschke, J. P. Cleveland, S. Takahashi, P. Szirmai, L. Forró, E. Emmanouilidou, R. Singh, and K. Holczer
    Carbon 188, 393-400 (2022).

  • Identification of a telecom wavelength single photon emitter in silicon
    Péter Udvarhelyi, Bálint Somogyi, Gergô Thiering, and Adam Gali
    Physical Review Letters 127, 196402 (2021).

  • Strong Zero-Phonon Transition from Point Defect-Stacking Fault Complexes in Silicon Carbide Nanowires
    Jin Hee Lee, Woong Bae Jeon, Jong Sung Moon, Junghyun Lee, Sang-Wook Han, Zoltán Bodrog, Adam Gali, Sang-Yun Lee, and Je-Hyung Kim
    Nano Letters 21, 9187-9194 (2021). DOI:10.1021/acs.nanolett.1c03013

  • Structure and Properties of Heavily B and P Codoped Amorphous Silicon Quantum Dots
    R. Turanský, J. Brndiar, A. Pershin, Á. Gali, H. Sugimoto, M. Fujii, and I. Ŝtich
    The Journal of Physical Chemistry C 125, 23267-23274 (2021). DOI:10.1021/acs.jpcc.1c06527

  • Magneto-optical spectra of the split nickel-vacancy defect in diamond
    Gergô Thiering and Adam Gali
    Physical Review Research 3, 043052 (2021).

  • Towards ab initio identification of paramagnetic substitutional carbon defects in hexagonal boron nitride acting as quantum bits
    Philipp Auburger and Adam Gali
    Physical Review B 104, 075410 (2021).

  • Towards identification of silicon vacancy-related electron paramagnetic resonance centers in 4H-SiC
    András Csóré, Nguyen Tien Son, and Adam Gali
    Physical Review B 104, 035207 (2021).

  • Room-temperature control and electrical readout of individual nitrogen-vacancy nuclear spins
    Michal Gulka, Daniel Wirtitsch, Viktor Ivády, Jelle Vodnik, Jaroslav Hruby, Goele Magchiels, Emilie Bourgeois, Adam Gali, Michael Trupke, and Milos Nesladek
    Nature Communications 12, 4421 (2021).

  • Highly tunable magneto-optical response from magnesium-vacancy color centers in diamond
    Anton Pershin, Gergely Barcza, Örs Legeza, and Adam Gali
    npj Quantum Information 7, 99 (2021).

  • Robust coherent control of solid-state spin qubits using anti-Stokes excitation
    Jun-Feng Wang, Fei-Fei Yan, Qiang Li, Zheng-Hao Liu, Jin-Ming Cui, Zhao-Di Liu, Adam Gali, Jin-Shi Xu, Chuan-Feng Li, and Guang-Can Guo
    Nature Communications 12, 3223 (2021).

  • Single-spin resonance in a van der Waals embedded paramagnetic defect
    Nathan Chejanovsky, Amlan Mukherjee, Jianpei Geng, Yu-Chen Chen, Youngwook Kim, Andrej Denisenko, Amit Finkler, Takashi Taniguchi, Kenji Watanabe, Durga Bhaktavatsala Rao Dasari, Philipp Auburger, Adam Gali, Jurgen H. Smet, and Jörg Wrachtrup
    Nature Materials 20, 1079-1084 (2021). DOI:10.1038/s41563-021-00979-4

  • Quantum guidelines for solid-state spin defects
    Gary Wolfowicz, F. Joseph Heremans, Christopher P. Anderson, Shun Kanai, Hosung Seo, Adam Gali, Giulia Galli & David D. Awschalom
    Nature Reviews Materials 6, 906-925 (2021). DOI:10.1038/s41578-021-00306-y

  • Enhancement of X-ray-Excited Red Luminescence of Chromium-Doped Zinc Gallate via Ultrasmall Silicon Carbide Nanocrystals
    Dávid Beke, Marco V. Nardi, Gábor Bortel, Melanie Timpel, Zsolt Czigány, Luca Pasquali, Andrea Chiappini, Giorgio Bais, Mátyás Rudolf, Dóra Zalka, Franca Bigi, Francesca Rossi, László Bencs, Aron Pekker, Bence G. Márkus, Giancarlo Salviati, Stephen E. Saddow, Katalin Kamarás, Ferenc Simon, and Adam Gali
    Chemistry of Materials 33, 2457-2465 (2021). DOI:10.1021/acs.chemmater.0c04671

  • Photoluminescence at the ground-state level anticrossing of the nitrogen-vacancy center in diamond: A comprehensive study
    Viktor Ivády, Huijie Zheng, Arne Wickenbrock, Lykourgos Bougas, Georgios Chatzidrosos, Kazuo Nakamura, Hitoshi Sumiya, Takeshi Ohshima, Junichi Isoya, Dmitry Budker, Igor A. Abrikosov, and Adam Gali
    Physical Review B 103, 035307 (2021).

  • DMRG on Top of Plane-Wave Kohn-Sham Orbitals: A Case Study of Defected Boron Nitride
    Gergely Barcza, Viktor Ivády, Tibor Szilvási, Márton Vörös, Libor Veis, Ádám Gali, and Örs Legeza
    Journal of Chemical Theory and Computation 17, 1143-1154 (2021).

  • Fundaments of photoelectric readout of spin states in diamond
    Emilie Bourgeois, Michal Gulka, Daniel Wirtitsch, Peter Siyushev, Huijie Zheng, Jaroslav Hruby, Arne Wickenbrock, Dmitry Budker, Adam Gali, Michael Trupke, Fedor Jelezko, Milos Nesladek
    Semiconductors and Semimetals 104, 105-147 (2021). doi:10.1016/bs.semsem.2020.08.001

  • Ab initio determination of pseudospin for paramagnetic defects in SiC
    András Csóré and Adam Gali
    Physical Review B 102, 241201(R) (2020).

  • Optically Detected Magnetic Resonance in Neutral Silicon Vacancy Centers in Diamond via Bound Exciton States
    Zi-Huai Zhang, Paul Stevenson, Gergô Thiering, Brendon C. Rose, Ding Huang, Andrew M. Edmonds, Matthew L. Markham, Stephen A. Lyon, Adam Gali, and Nathalie P. de Leon
    Physical Review Letters 125, 237402 (2020).

  • Silicon-Carbide (SiC) Nanocrystal Technology and Characterization and Its Applications in Memory Structures
    Andrzej Mazurak, Robert Mroczyrński, David Beke and Adam Gali
    Nanomaterials 10, 2387 (2020).

  • Stone-Wales defects in hexagonal boron nitride as ultraviolet emitters
    Hanen Hamdi, Gergô Thiering, Zoltán Bodrog, Viktor Ivády, and Adam Gali
    npj Computational Materials 6, 178 (2020).

  • Interlayer Bonding in Two-Dimensional Materials: The Special Case of SnP₃ and GeP₃
    Amine Slassi, Sai Manoj Gali, Anton Pershin, Adam Gali, Jérôme Cornil, and David Beljonne
    The Journal of Chemistry Letters 11, 4503-4510 (2020).

  • Solar Photoelectroreduction of Nitrate Ions on PbI2/CuI Nanocomposite Electrodes
    Egon Kecsenovity, Saji Thomas Kochuveedu, Jyh-Pin Chou, Diána Lukács, Ádám Gali, and Csaba Janáky
    Solar Rapid Research Letter on-line, 2000418 (2020). DOI: 10.1002/solr.202000418

  • Theoretical study of quantum emitters in two-dimensional silicon carbide monolayers
    Q. Hassanzada, I. Abdolhosseini Sarsari, A. Hashemi, A. Ghojavand, A. Gali, and M. Abdi
    Physical Review B 102, 134103 (2020).

  • Giant shift upon strain on the fluorescence spectrum of V_NN_B color centers in h-BN
    Song Li, Jyh-Pin Chou, Alice Hu, Martin B. Plenio, Péter Udvarhelyi, Gergô Thiering, Mehdi Abdi, and Adam Gali
    npj Quantum Information 6, 85 (2020).

  • Feature article Material Platforms for Defect Qubits and Single Photon Emitters
    Gang Zhang, Yuan Cheng, Jyh-Pin Chou, and Adam Gali
    Applied Physics Reviews 7, 031308 (2020).

  • Spin-controlled generation of indistinguishable and distinguishable photons from silicon vacancy centres in silicon carbide
    Naoya Morioka, Charles Babin, Roland Nagy, Izel Gediz, Erik Hesselmeier, Di Liu, Matthew Joliffe, Matthias Niethammer, Durga Dasari, Vadim Vorobyov, Roman Kolesov, Rainer Stöhr, Jawad Ul-Hassan, Nguyen Tien Son, Takeshi Ohshima, Péter Udvarhelyi, Gergô Thiering, Adam Gali, Jörg Wrachtrup, and Florian Kaiser
    Nature Communications 11 2516 (2020).

  • Room-temperature coherent control of implanted defect spins in silicon carbide
    Fei-Fei Yan, Ai-Lun Yi, Jun-Feng Wang, Qiang Li, Pei Yu, Jia-Xiang Zhang, Adam Gali, Ya Wang, Jin-Shi Xu, Xin Ou, Chuan-Feng Li, and Guang-Can Guo
    npj Quantum Information 6 38 (2020).

  • Color centers in diamond for quantum applications
    Gergô Thiering, Adam Gali
    Semiconductors and Semimetals 103, 1-36 (2020). doi:10.1016/bs.semsem.2020.03.001

  • Vibronic States and Their Effect on the Temperature and Strain Dependence of Silicon-Vacancy Qubits in 4H-SiC
    Péter Udvarhelyi, Gergô Thiering, Naoya Morioka, Charles Babin, Florian Kaiser, Daniil Lukin, Takeshi Ohshima, Jawad Ul-Hassan, Nguyen Tien Son, Jelena Vučković, Jörg Wrachtrup, and Adam Gali
    Physical Review Applied 13 054017 (2020).

  • Ab initio theory of the negatively charged boron vacancy qubit in hexagonal boron nitride
    Viktor Ivády, Gergely Barcza, Gergô Thiering, Song Li, Hanen Hamdi, Jyh-Pin Chou, Örs Legeza, and Adam Gali
    npj Computational Materials 6 41 (2020).

  • Immunomodulatory Potential of Differently-Terminated Ultra-Small Silicon Carbide Nanoparticles
    Tereza Bělinová, Iva Machová, Anna Fučíková, Dávid Beke, Adam Gali, Zuzana Humlová, Jan Valenta and Marie Hubálek Kalbáčová
    Nanomaterials 10 573 (2020).

  • Novel Method for Electroless Etching of 6H-SiC
    Gyula Károlyházy, Dávid Beke, Dóra Zalka, Sándor Lenk, Olga Krafcsik, Katalin Kamarás and Ádám Gali
    Nanomaterials 10 538 (2020).

  • Room-Temperature Defect Qubits in Ultrasmall Nanocrystals
    Dávid Beke, Jan Valenta, Gyula Károlyházy, Sándor Lenk, Zsolt Czigány, Bence Gábor Márkus, Katalin Kamarás, Ferenc Simon, and Adam Gali
    The Journal of Physical Chemistry Letters 11 1675-1681 (2020).

  • Thermal evolution of silicon carbide electronic bands
    E. Cannuccia and A. Gali
    Physical Review Materials 4 014601 (2020).

  • Spectroscopic investigations of negatively charged tin-vacancy centres in diamond
    Johannes Görlitz, Dennis Herrmann, Gergô Thiering, Philipp Fuchs, Morgane Gandil, Takayuki Iwasaki, Takashi Taniguchi, Michael Kieschnick, Jan Meijer, Mutsuko Hatano, Adam Gali and Christoph Becher
    New Journal of Physics 22 013048 (2020).

  • Stabilization of point-defect spin qubits by quantum wells
    Viktor Ivády, Joel Davidsson, Nazar Delegan, Abram L. Falk, Paul V. Klimov, Samuel J. Whiteley, Stephan O. Hruszkewycz, Martin V. Holt, F. Joseph Heremans, Nguyen Tien Son, David D. Awschalom, Igor A. Abrikosov and Adam Gali
    Nature Communications 10 5607 (2019). DOI:10.1038/s41467-019-13495-6

  • Electrically driven optical interferometry with spins in silicon carbide
    Kevin C. Miao, Alexandre Bourassa, Christopher P. Anderson, Samuel J. Whiteley, Alexander L. Crook, Sam L. Bayliss, Gary Wolfowicz, Gergô Thiering, Péter Udvarhelyi, Viktor Ivády, Hiroshi Abe, Takeshi Ohshima, Ádám Gali and David D. Awschalom
    Science Advances 5 eaay0527 (2019). DOI:10.1126/sciadv.aay0527

  • Optically Active Defects at the SiC/SiO₂ Interface
    B.C. Johnson, J. Woerle, D. Haasmann, C.T.-K. Lew, R.A. Parker, H. Knowles, B. Pingault, M. Atature, A. Gali, S. Dimitrijev, M. Camarda, and J.C. McCallum
    Physical Review Applied 12 044024 (2019).

  • Electrical Charge State Manipulation of Single Silicon Vacancies in a Silicon Carbide Quantum Optoelectronic Device
    Matthias Widmann, Matthias Niethammer, Dmitry Yu. Fedyanin, Igor A. Khramtsov, Torsten Rendler, Ian D. Booker, Jawad Ul Hassan, Naoya Morioka, Yu-Chen Chen, Ivan G. Ivanov, Nguyen Tien Son, Takeshi Ohshima, Michel Bockstedte, Adam Gali, Cristian Bonato, Sang-Yun Lee, and Jörg Wrachtrup
    Nano Letters 19, 7173-7180 (2019).

  • Ab initio theory of the nitrogen-vacancy center in diamond
    Adam Gali
    Nanophotonics 8 1907-1943 (2019). DOI:10.1515/nanoph-2019-0154

  • Size-Dependent Photocatalytic Activity of Cubic Boron Phosphide Nanocrystals in the Quantum Confinement Regime
    Hiroshi Sugimoto, Bálint Somogyi, Toshiyuki Nakamura, Hao Zhou, Yuichi Ichihashi, Satoru Nishiyama, Adam Gali, and Minoru Fujii
    The Journal of Physical Chemistry C 123 23226-23235 (2019). DOI: 10.1021/acs.jpcc.9b06487

  • Optical Properties of Vanadium in 4H Silicon Carbide for Quantum Technology
    L. Spindlberger, A. Csóré, G. Thiering, S. Putz, R. Karhu, J. Ul Hassan, N.T. Son, T. Fromherz, A. Gali, and M. Trupke
    Physical Review Applied 12 014015 (2019).

  • High-fidelity spin and optical control of single silicon-vacancy centres in silicon carbide
    Roland Nagy, Matthias Niethammer, Matthias Widmann, Yu-Chen Chen, Péter Udvarhelyi, Cristian Bonato, Jawad Ul Hassan, Robin Karhu, Ivan G. Ivanov, Nguyen Tien Son, Jeronimo R. Maze, Takeshi Ohshima, Öney O. Soykal, Ádám Gali, Sang-Yun Lee, Florian Kaiser, and Jörg Wrachtrup
    Nature Communications 10 1954 (2019).

  • Spectrally Stable Defect Qubits with no Inversion Symmetry for Robust Spin-To-Photon Interface
    Péter Udvarhelyi, Roland Nagy, Florian Kaiser, Sang-Yun Lee, Jörg Wrachtrup, and Adam Gali
    Physical Review Applied 11 044022 (2019).

  • Identification of divacancy and silicon vacancy qubits in 6H-SiC
    Joel Davidsson, Viktor Ivády, Rickard Armiento, Takeshi Ohshima, N. T. Son, Adam Gali, and Igor A. Abrikosov
    Applied Physics Letters 114 112107 (2019).

  • The (e_g ⊗ e_u) ⊗ E_g product Jahn-Teller effect in the neutral group-IV vacancy quantum bits in diamond
    Gergô Thiering and Adam Gali
    npj Computational Materials 5 18 (2019).

  • Oxygenated (113) diamond surface for nitrogen-vacancy quantum sensors with preferential alignment and long coherence time from first principles
    Song Li, Jyh-Pin Chou, Jie Wei, Minglei Sun, Alice Hu, and Adam Gali
    Carbon 145 273-280 (2019). DOI:10.1016/j.carbon.2019.01.016

  • Evidence for Primal sp2 Defects at the Diamond Surface: Candidates for Electron Trapping and Noise Sources
    Alastair Stacey, Nikolai Dontschuk, Jyh-Pin Chou, David Broadway, Alex Schenk, Michael Sear, Jean-Philippe Tetienne, Alon Hoffman, Steven Prawer, Chris Pakes, Anton Tadich, Nathalie de Leon, Adam Gali, and Lloyd Hollenberg
    Advanced Materials Interfaces 6 1801449 (2019). DOI:10.1002/admi.201801449

  • Strongly anisotropic spin relaxation in the neutral silicon vacancy center in diamond
    B. C. Rose, G. Thiering, A. M. Tyryshkin, A. M. Edmonds, M. L. Markham, A. Gali, S. A. Lyon, and N. P. de Leon
    Physical Review B 98 235140 (2018).

  • First principles calculation of spin-related quantities for point defect qubit research
    Viktor Ivády, Igor A. Abrikosov, and Adam Gali
    npj Computational Materials 4 76 (2018).

  • Direct Observation of Transition from Solid-State to Molecular-Like Optical Properties in Ultrasmall Silicon Carbide Nanoparticles
    David Beke, Anna Fučiková, Tibor Z. Jánosi, Gyula Károlyházy, Bálint Somogyi, Sándor Lenk, Olga Krafcsik, Zsolt Czigány, János Erostyák, Katalin Kamarás, Jan Valenta, and Adam Gali
    The Journal of Chemical Physics C 122 26713-26721 (2018). DOI:10.1021/acs.jpcc.8b07826

  • Strongly inhomogeneous distribution of spectral properties of silicon-vacancy color centers in nanodiamonds
    Sarah Lindner, Alexander Bommer, Andreas Muzha, Anke Krueger, Laia Gines, Soumen Mandal, Oliver Williams, Elisa Londero, Adam Gali and Christoph Becher
    New Journal of Physics 20 115002 (2018) DOI:10.1088/1367-2630/aae93f

  • Excitation properties of the divacancy in 4H-SiC
    Björn Magnusson, Nguyen Tien Son, András Csóré, Andreas Gällstróm, Takeshi Ohshima, Adam Gali, and Ivan G. Ivanov
    Physical Review B 98 195202 (2018).

  • Ab Initio Spin-Strain Coupling Parameters of Divacancy Qubits in Silicon Carbide
    Péter Udvarhelyi and Adam Gali
    Physical Review Applied 10 054010 (2018).

  • Photoluminescence, infrared, and Raman spectra of co-doped Si nanoparticles from first principles
    Bálint Somogyi, Emilie Bruyer, and Adam Gali
    The Journal of Chemical Physics 149 154702 (2018).

  • Theory of the optical spin-polarization loop of the nitrogen-vacancy center in diamond
    Gergô Thiering and Adam Gali
    Physical Review B 98 085207 (2018).

  • Spin-strain interaction in nitrogen-vacancy centers in diamond
    Péter Udvarhelyi, V. O. Shkolnikov, Adam Gali, Guido Burkard, and András Pályi
    Physical Review B 98 075201 (2018).

  • First principles calculation of spin related quantities for point defect qubit research
    Viktor Ivády, Igor A. Abrikosov, and Adam Gali
    Psi-k Highlights 141 (2018).

  • Vibrational modes of negatively charged silicon-vacancy centers in diamond from ab initio calculations
    Elisa Londero, Gergô Thiering, Lukas Razinkovas, Adam Gali, and Audrius Alkauskas
    Physical Review B 98 035306 (2018).

  • Ab initio description of highly correlated states in defects for realizing quantum bits
    Michel Bockstedte, Felix Stütz, Thomas Garrat, Viktor Ivády, and Adam Gali
    npj Quantum Materials 3 31 (2018). DOI: 10.1038/s41535-018-0103-6

  • Identification of nickel-vacancy defects by combining experimental and ab initio simulated photocurrent spectra
    E. Londero, E. Bourgeois, M. Nesladek, and A. Gali
    Physical Review B 97 241202(R) (2018).

  • Vibrational relaxation dynamics of the nitrogen-vacancy center in diamond
    Ronald Ulbricht, Shuo Dong, Adam Gali, Sheng Meng, and Zhi-Heng Loh
    Physical Review B 97 220302(R) (2018).

  • Ab Initio Magneto-Optical Spectrum of Group-IV Vacancy Color Centers in Diamond
    Gergô Thiering and Adam Gali
    Physical Review X 8 021063 (2018).

  • Identification of the binding site between bovine serum albumin and ultrasmall SiC fluorescent biomarkers
    Gabriella Dravecz, Tibor Z. Jánosi, Dávid Beke, Dániel Á. Major, Gyula Károlyházy, János Erostyák, Katalin Kamarás and Ádám Gali
    Physical Chemistry Chemical Physics 20 13419-13429 (2018). DOI:10.1039/C8CP02144A

  • Color centers in hexagonal boron nitride monolayers: A group theory and ab-initio analysis
    Mehdi Abdi, Jyh-Pin Chou, Adam Gali, and Martin B. Plenio
    ACS Photonics 5 1967-1976 (2018). DOI:10.1021/acsphotonics.7b01442

  • Room temperature solid-state quantum emitters in the telecom range
    Yu Zhou, Ziyu Wang, Abdullah Rasmita, Sejeong Kim, Amanuel Berhane, Zoltán Bodrog, Giorgio Adamo, Adam Gali, Igor Aharonovich and Wei-bo Gao
    Science Advances 4 eaar3580 (2018). DOI:10.1126/sciadv.aar3580

  • First-Principles Study of Charge Diffusion between Proximate Solid-State Qubits and Its Implications on Sensor Applications
    Jyh-Pin Chou, Zoltán Bodrog, and Adam Gali
    Physical Review Letters 120 136401 (2018).

  • First principles predictions of magneto-optical data for semiconductor point defect identification: the case of divacancy defects in 4H-SiC
    Joel Davidsson, Viktor Ivády, Rickard Armiento, N. T. Son, Adam Gali and Igor A Abrikosov
    New Journal of Physics 20 023035 (2018). DOI:10.1088/1367-2630/aaa752

  • Surface-Mediated Energy Transfer and Subsequent Photocatalytic Behavior in Silicon Carbide Colloid Solutions
    Dávid Beke, Klaudia Horváth, Katalin Kamarás, and Adam Gali
    Langmuir 33 14263-14268 (2017). DOI:10.1021/acs.langmuir.7b03433

  • High-Throughput Study of Compositions and Optical Properties in Heavily Co-Doped Silicon Nanoparticles
    Bálint Somogyi, René Derian, Ivan Štich, and Adam Gali
    J. Phys. Chem. C 121 27741-27750 (2017). DOI:10.1021/acs.jpcc.7b09501

  • Optical Gaps in Pristine and Heavily Doped Silicon Nanocrystals: DFT versus Quantum Monte Carlo Benchmarks
    R. Derian, K. Tokár, B. Somogyi, Á. Gali, and I. Štich
    J. Chem. Theory Comput. 13 6061-6067 (2017). DOI: 10.1021/acs.jctc.7b00823

  • Ab initio theory of the N₂V defect in diamond for quantum memory implementation
    Péter Udvarhelyi, Gergô Thiering, Elisa Londero, and Adam Gali
    Physical Review B 96 155211 (2017).

  • Identification of Si-vacancy related room-temperature qubits in 4H silicon carbide
    Viktor Ivády, Joel Davidsson, Nguyen Tien Son, Takeshi Ohshima, Igor. A. Abrikosov, and Adam Gali
    Physical Review B 96 161114(R) (2017).

  • Hybrid-DFT+V_w method for band structure calculation of semiconducting transition metal compounds: the case of cerium dioxide
    Viktor Ivády, Adam Gali, and Igor. A. Abrikosov
    Journal of Physics: Condensed Matter 29 454002 (2017). doi:10.1088/1361-648X/aa8b93

  • Protecting a diamond quantum memory by charge state control
    Matthias Pfender, Nabeel Aslam, Patrick Simon, Denis Antonov, Gergô Thiering, Sina Burk, Felipe Fávaro de Oliveira, Andrej Denisenko, Helmut Fedder, Jan Meijer, José Antonio Garrido, Adam Gali, Tokuyuki Teraji, Junichi Isoya, Marcus W. Doherty, Audrius Alkauskas, Alejandro Gallo, Andreas Grüneis, Philipp Neumann, and Jörg Wrachtrup
    Nano Letters 17 5931-5937 (2017). doi:10.1021/acs.nanolett.7b01796

  • Harnessing no-photon exciton generation chemistry to engineer semiconductor nanostructures
    David Beke, Gyula Károlyházy, Zsolt Czigány, Gábor Bortel, Katalin Kamarás & Adam Gali
    Scientific Reports 7 10599 (2017).

  • Nitrogen-vacancy diamond sensor: novel diamond surfaces from ab initio simulations
    Jyh-Pin Chou and Adam Gali
    MRS Communications 1-12, doi:10.1557/mrc.2017.75 (2017).

  • Ab initio calculation of spin-orbit coupling for an NV center in diamond exhibiting dynamic Jahn-Teller effect
    Gergô Thiering and Adam Gali
    Physical Review B 96 081115(R) (2017).

  • Characterization and formation of NV centers in 3C, 4H, and 6H SiC: An ab initio study
    A. Csóré, H. J. von Bardeleben, J. L. Cantin, and A. Gali
    Physical Review B 96 085204 (2017).

  • All-optical hyperpolarization of electron and nuclear spins in diamond
    B. L. Green, B. G. Breeze, G. J. Rees, J. V. Hanna, J.-P. Chou, V. Ivády, A. Gali, and M. E. Newton
    Physical Review B 96 054101 (2017).

  • Isolated Spin Qubits in SiC with a High-Fidelity Infrared Spin-to-Photon Interface
    David J. Christle, Paul V. Klimov, Charles F. de las Casas, Krisztián Szász, Viktor Ivády, Valdas Jokubavicius, Jawad Ul Hassan, Mikael Syvöjörvi, William F. Koehl, Takeshi Ohshima, Nguyen T. Son, Erik Janzén, Ádám Gali, and David D. Awschalom
    Physical Review X 7 021046 (2017).

  • Photoluminescence excitation spectroscopy of SiV^- and GeV^- color center in diamond
    Stefan Markus Häußler, Gergô Thiering, Andreas Dietrich, Niklas Waasem, Tokuyuki Teraji, Junichi Isoya, Takayuki Iwasaki, Mutsuko Hatano, Fedor Jelezko, Adam Gali and Alexander Kubanek
    New Journal of Physics 19 063036 (2017).

  • Pulsed Photoelectric Coherent Manipulation and Detection of N-V Center Spins in Diamond
    Michal Gulka, Emilie Bourgeois, Jaroslav Hruby, Petr Siyushev, Georg Wachter, Friedrich Aumayr, Philip R. Hemmer, Adam Gali, Fedor Jelezko, Michael Trupke, and Milos Nesladek
    Physical Review Applied 7 044032 (2017).

  • Nitrogen terminated diamond (111) surface for room temperature quantum sensing and simulation
    Jyh-Pin Chou, Alex Retzker, Adam Gali
    Nano Letters 17 2294 - 2298 (2017). DOI: 10.1021/acs.nanolett.6b05023

  • Bright Room-Temperature Single-Photon Emission from Defects in Gallium Nitride
    A. M. Berhane, K.-Y. Jeong, Z. Bodrog, S. Fiedler, T. Schröder, N. V. Triviño, T. Palacios, A. Gali, M. Toth, D. Englund, I. Aharonovich
    Adv. Mater. 1605092 (2017).

  • Enhanced photoelectric detection of NV magnetic resonances in diamond under dual-beam excitation
    E. Bourgeois, E. Londero, K. Buczak, J. Hruby, M. Gulka, Y. Balasubramaniam, G. Wachter, J. Stursa, K. Dobes, F. Aumayr, M. Trupke, A. Gali, and M. Nesladek
    Physical Review B 95 041402(R) (2017).

  • High-Fidelity Bidirectional Nuclear Qubit Initialization in SiC
    Viktor Ivády, Paul V. Klimov, Kevin C. Miao, Abram L. Falk, David J. Christle, Krisztián Szász, Igor A. Abrikosov, David D. Awschalom, and Adam Gali
    Physical Review Letters 117 220503 (2016).

  • Microscopic modeling of the effect of phonons on the optical properties of solid-state emitters
    Ariel Norambuena, Sebastián A. Reyes, José Mejía-Lopéz, Adam Gali, and Jerónimo R. Maze
    Physical Review B 94 134305 (2016).

  • NV centers in 3C,4H, and 6H silicon carbide: A variable platform for solid-state qubits and nanosensors
    H. J. von Bardeleben, J. L. Cantin, A. Csóré, A. Gali, E. Rauls, and U. Gerstmann
    Physical Review B 94 121202(R) (2016).

  • Optically detected magnetic resonances of nitrogen-vacancy ensembles in ¹³C-enriched diamond
    A. Jarmola, Z. Bodrog, P. Kehayias, M. Markham, J. Hall, D. J. Twitchen, V. M. Acosta, A. Gali, and D. Budker
    Physical Review B 94 094108 (2016).

  • Characterization of oxygen defects in diamond by means of density functional theory calculations
    Gergô Thiering and Adam Gali
    Physical Review B 94 125202 (2016).

  • Electron-vibration coupling induced renormalization in the photo-emission spectrum of diamondoids
    Adam Gali, Tamás Demján, Márton Vörös, Gergô Thiering, Elena Cannuccia, and Andrea Marini
    Nature Communications 7 11327 (2016). DOI:10.1038/NCOMMS11327

  • Determination of silicon and aluminum in silicon carbide nanocrystals by high-resolution continuum source graphite furnace atomic absorption spectrometry
    Gabriella Dravecz, László Bencs, Dávid Beke, and Ádám Gali
    Talanta 147 271-275 (2016). DOI:10.1016/j.talanta.2015.09.067

  • Identification of Luminescence Centers in Molecular-Sized Silicon Carbide Nanocrystals
    Dávid Beke, Tibor Z. Jánosi, Bálint Somogyi, Dániel Á. Major, Zsolt Szekrényes, János Erostyák, Katalin Kamarás, and Adam Gali
    The Journal of Physical Chemistry C 120 685-691 (2016) DOI: 10.1021/acs.jpcc.5b09503

  • Complexes of silicon, vacancy, and hydrogen in diamond: A density functional study
    Gergô Thiering and Adam Gali
    Physical Review B 92 165203 (2015).

  • Theoretical model of dynamic spin polarization of nuclei coupled to paramagnetic point defects in diamond and silicon carbide
    Viktor Ivády, Krisztián Szász, Abram L. Falk, Paul V. Klimov, David J. Christle, Erik Janzén, Igor A. Abrikosov, David D. Awschalom, and Ádám Gali
    Physical Review B 92 115206 (2015).

  • Optical properties and Zeeman spectroscopy of niobium in silicon carbide
    Andreas Gällström, Björn Magnusson, Stefano Leone, Olof Kordina, Nguyen T. Son, Viktor Ivády, Adam Gali, Igor A. Abrikosov, Erik Janzén, and Ivan G. Ivanov
    Physical Review B 92 075207 (2015).

  • Single-photon emitting diode in silicon carbide
    A. Lohrmann, N. Iwamoto, Z. Bodrog, S. Castelletto, T. Ohshima, T.J. Karle, A. Gali, S. Prawer, J.C. McCallum, and B.C. Johnson
    Nature Communications 6 7783 (2015). DOI: 10.1038/ncomms8783

  • Optical Polarization of Nuclear Spins in Silicon Carbide
    Abram L. Falk, Paul V. Klimov, Viktor Ivády, Krisztián Szász, David J. Christle, William F. Koehl, Ádám Gali, and David D. Awschalom
    Physical Review Letters 114 247603 (2015).

  • Dominant Luminescence is not Due to Quantum Confinement in Molecular-Sized Silicon Carbide Nanocrystals
    David Beke, Zsolt Szekrényes, Zsolt Czigány, Katalin Kamarás and Adam Gali
    Nanoscale 7 10982-10988 (2015). DOI: 10.1039/C5NR01204J

  • Nitrogen Terminated Diamond
    Alastair Stacey, Kane M. O'Donnell, Jyh-Pin Chou, Alex Schenk, Anton Tadich, Nikolai Dontschuk, Jiri Cervenka, Chris Pakes, Adam Gali, Alon Hoffman and Steven Prawer
    Advanced Materials Interfaces 2 1500079 (2015). DOI:10.1002/admi.201500079

  • Spin and photophysics of carbon-antisite vacancy defect in 4H silicon carbide: A potential quantum bit
    Krisztián Szász, Viktor Ivády, Igor A. Abrikosov, Erik Janzén, Michel Bockstedte, and Adam Gali
    Physical Review B 91 121201(R) (2015).

  • Coherent control of single spins in silicon carbide at room temperature
    Matthias Widmann,Sang-Yun Lee, Torsten Rendler, Nguyen Tien Son, Helmut Fedder, Seoyoung Paik, Li-Ping Yang, Nan Zhao, Sen Yang, Ian Booker, Andrej Denisenko, Mohammad Jamali, S. Ali Momenzadeh, Ilja Gerhardt, Takeshi Ohshima, Adam Gali, Erik Janzén, and Jörg Wrachtrup
    Nature Materials 14 164-168 (2015). DOI:10.1038/nmat4145

  • Pressure and temperature dependence of the zero-field splitting in the ground state of NV centers in diamond: A first-principles study
    Viktor Ivády, Tamás Simon, Jeronimo R. Maze, I. A. Abrikosov, and Adam Gali
    Physical Review B 90 235205 (2014).

  • Optoelectronic excitations and photovoltaic effect in strongly correlated materials
    John E. Coulter, Efstratios Manousakis, and Adam Gali
    Physical Review B 90 165142 (2014).

  • First principles study of point defects in SnS
    Brad Dean Malone, Adam Gali, and Efthimios Kaxiras
    Phys. Chem. Chem. Phys. 16 26176-26183 (2014). DOI: 10.1039/C4CP03010A

  • Characterization of the nitrogen split interstitial defect in wurtzite aluminum nitride using density functional theory
    A. Szállás, K. Szász, X. T. Trinh, N. T. Son, E. Janzén and A. Gali
    Journal of Applied Physics 116 113702 (2014).

  • Electronic and optical properties of pure and modified diamondoids studied by many-body perturbation theory and time-dependent density functional theory
    Tamás Demján, Márton Vörös, Maurizia Palummo and Adam Gali
    The Journal of Chemical Physics 141 064308 (2014).

  • Chemical Transformation of Carboxyl Groups on the Surface of Silicon Carbide Quantum Dots
    Zsolt Szekrényes, Bálint Somogyi, Dávid Beke, Gyula Károlyházy, István Balogh, Katalin Kamarás, and Adam Gali
    The Journal of Physical Chemistry C 118 19995-20001 (2014). DOI: 10.1021/jp5053024

  • Single nickel-related defects in molecular-sized nanodiamonds for multicolor bioimaging: an ab-initio study
    Gergô Thiering, Elisa Londero and Adam Gali
    Nanoscale 6 12018 (2014). DOI: 10.1039/C4NR03112A

  • Theoretical unification of hybrid-DFT and DFT+U methods for the treatment of localized orbitals
    Viktor Ivády, Rickard Armiento, Krisztián Szász, Erik Janzén, Adam Gali, and Igor A. Abrikosov
    Physical Review B 90 035146 (2014).

  • The proper surface termination for luminescent near-surface NV-centres in diamond
    Moloud Kaviani, Peter Deák, Bálint Aradi, Thomas Frauenheim, Jyh-Pin Chou , and Adam Gali
    Nano Letters 14 4772-4777 (2014). DOI: 10.1021/nl501927y

  • Room Temperature Quantum Emission from Cubic Silicon Carbide Nanoparticles
    Stefania Castelletto, Brett Johnson, Cameron Zachreson, Dávid Beke, István Balogh, Takeshi Ohshima, Igor Aharonovich, and Adam Gali
    ACS Nano 8 7938-7947 (2014). DOI: 10.1021/nn502719y

  • Quantum-confined single photon emission at room temperature from SiC tetrapods
    Stefania Castelletto, Zoltán Bodrog, Andrew P. Magyar, Angus Gentle, Adam Gali and Igor Aharonovich
    Nanoscale 6 10027-10032 (2014). DOI: 10.1039/C4NR02307B

  • Ab Initio Optoelectronic Properties of Silicon Nanoparticles: Excitation Energies, Sum Rules, and Tamm-Dancoff Approximation
    Dario Rocca, Márton Vörös, Adam Gali, and Giulia Galli
    Journal of Chemical Theory and Computation 10 3290-3298 (2014). DOI: 10.1021/ct5000956

  • Germanium nanoparticles with non-diamond core structures for solar energy conversion
    Márton Vörös, Stefan Wippermann, Bálint Somogyi, Adam Gali, Dario Rocca, Giulia Galli and Gergely Zimanyi
    J. Mater. Chem. A 2 9820-9827 (2014).

  • Electrically and Mechanically Tunable Electron Spins in Silicon Carbide Color Centers
    Abram L. Falk, Paul V. Klimov, Bob B. Buckley, Viktor Ivády, Igor A. Abrikosov, Greg Calusine, William F. Koehl, Ádám Gali, and David D. Awschalom
    Physical Review Letters 112 187601 (2014).

  • Invited Review Article: Computational design of in vivo biomarkers
    Bálint Somogyi and Adam Gali
    Journal of Physics: Condensed Matter 26 143202 (2014).

  • Solar Nanocomposites with Complementary Charge Extraction Pathways for Electrons and Holes: Si Embedded in ZnS
    Stefan Wippermann, Márton Vörös, Adam Gali, Francois Gygi, Gergely T. Zimanyi, and Giulia Galli
    Physical Review Letters 112 106801 (2014).

  • Theoretical and electron paramagnetic resonance studies of hyperfine interaction in nitrogen doped 4H and 6H SiC
    K. Szász, X. T. Trinh, N. T. Son, E. Janzén, and Adam Gali
    Journal of Applied Physics 115 073705 (2014).

  • Fluorine Modification of the Surface of Diamondoids: A Time-Dependent Density Functional Study
    Tibor Szilvási and Adam Gali
    The Journal of Physical Chemistry C 118 4410-4415 (2014).

  • Formation of NV centers in diamond: A theoretical study based on calculated transitions and migration of nitrogen and vacancy related defects
    Peter Deák, Bálint Aradi, Moloud Kaviani, Thomas Frauenheim, and Adam Gali
    Physical Review B 89 075203 (2014).

  • Electronic Structure of the Silicon Vacancy Color Center in Diamond
    Christian Hepp, Tina Müller, Victor Waselowski, Jonas N. Becker, Benjamin Pingault, Hadwig Sternschulte, Doris Steinmüller-Nethl, A. Gali, Jeronimo R. Maze, Mete Atatüre, and Christoph Becher
    Physical Review Letters 112 036405 (2014).

  • Molecular-sized fluorescent nanodiamonds
    Igor I. Vlasov, Andrey A. Shiryaev, Torsten Rendler, Steffen Steinert, Sang-Yun Lee, Denis Antonov, Márton Vörös, Fedor Jelezko, Anatoly V. Fisenko, Lyubov' F. Semjonova, Johannes Biskupek, Ute Kaiser, Oleg I. Lebedev, Ilmo Sildos, Philip. R. Hemmer, Vitaly I Konov, Adam Gali and Jörg Wrachtrup
    Nature Nanotechnology 9 54-58 (2014) DOI: 10.1038/nnano.2013.255

  • The spin-spin zero-field splitting tensor in the projector-augmented-wave method
    Zoltán Bodrog and Adam Gali
    Journal of Physics: Condensed Matter 26 015305 (2014).

  • A silicon carbide room-temperature single-photon source
    S. Castelletto, B. C. Johnson, V. Ivády, N. Stavrias, T. Umeda, A. Gali, and T. Ohshima
    Nature Materials 13 151-156 (2014) DOI: 10.1038/nmat3806

  • Negative-U carbon vacancy in 4H-SiC: Assessment of charge correction schemes and identification of the negative carbon vacancy at the quasicubic site
    X. T. Trinh, K. Szász, T. Hornos, K. Kawahara, J. Suda, T. Kimoto, A. Gali, E. Janzén, and N. T. Son
    Physical Review B 88 235209 (2013).

  • Ab initio study of the split silicon-vacancy defect in diamond: Electronic structure and related properties
    Adam Gali and Jeronimo R. Maze
    Physical Review B 88 235205 (2013).

  • Hyperfine coupling of point defects in semiconductors by hybrid density functional calculations: The role of core spin polarization
    Krisztián Szász, Tamás Hornos, Martijn Marsman, and Adam Gali
    Physical Review B 88 075202 (2013).

  • Limitations of the hybrid functional approach to electronic structure of transition metal oxides
    John E. Coulter, Efstratios Manousakis, and Adam Gali
    Physical Review B 88 041107(R) (2013).

  • Ab initio characterization of a Ni-related defect in diamond: The W8 center
    Thomas Chanier and Adam Gali
    Physical Review B 87 245206 (2013).

  • Readout and control of a single nuclear spin with a meta-stable electron spin ancilla
    Sang-Yun Lee, Matthias Widmann, Torsten Rendler, Marcus Doherty, Tom Babinec, Sen Yang, Moritz Eyer, Petr Siyushev, Birgit Haussmann, Marko Loncar, Zoltán Bodrog, Adam Gali, Neil Manson, Helmut Fedder, Jörg Wrachtrup
    Nature Nanotechnology 8 487-492 (2013).

  • Role of screening in the density functional applied to transition-metal defects in semiconductors
    Viktor Ivády, I. A. Abrikosov, E. Janzén, and Adam Gali
    Physical Review B 87 205201 (2013).

  • Optically Controlled Switching of the Charge State of a Single Nitrogen-Vacancy Center in Diamond at Cryogenic Temperatures
    P. Siyushev, H. Pinto, M. Vörös, A. Gali, F. Jelezko, and J. Wrachtrup
    Physical Review Letters 110 167402 (2013).

  • Increasing impact ionization rates in Si nanoparticles through surface engineering: A density functional study
    Márton Vörös, Dario Rocca, Giulia Galli, Gergely T. Zimanyi, and Adam Gali
    Physical Review B 87 155402 (2013).

  • High-Pressure Core Structures of Si Nanoparticles for Solar Energy Conversion
    S. Wippermann, M. Vörös, D. Rocca, A. Gali, G. Zimanyi, and G. Galli
    Physical Review Letters 110 046804 (2013).

  • Silicon carbide quantum dots for bioimaging
    David Beke, Zsolt Szekrényes, Denes Pálfi, Gergely Róna, István Balogh, Pal Andor Maák, Gergely Katona, Zsolt Czigány, Katalin Kamarás, Balazs Rózsa, Laszlo Buday, Beáta Vértessy and Adam Gali
    Journal of Materials Research 28 205-209 (2013).

  • Preparation of small silicon carbide quantum dots by wet chemical etching
    David Beke, Zsolt Szekrényes, István Balogh, Zsolt Czigány, Katalin Kamarás and Adam Gali
    Journal of Materials Research 28 44-49 (2013).

  • Enhancement of electron-nuclear hyperfine interaction at lattice defects in semiconducting single-walled carbon nanotubes studied by ab initio density functional theory calculations
    V. Zólyomi, V. Ivádi and Adam Gali
    Physical Review B 86 235433 (2012).

  • Near-infrared luminescent cubic silicon carbide nanocrystals for in vivo biomarker applications: an ab initio study
    B. Somogyi, V. Zólyomi, and Adam Gali
    Nanoscale 4 7720-7726 (2012).

  • Electronic and Optical Properties of Silicon Carbide Nanotubes and Nanoparticles Studied by Density Functional Theory Calculations: Effect of Doping and Environment
    Márton Vörös and Adam Gali
    Journal of Computational and Theoretical Nanoscience 9 1906-1940 (2012).

  • Electron paramagnetic resonance and theoretical studies of Nb in 4H- and 6H-SiC
    Nguyen Tien Son, Xuan Thang Trinh, Andreas Gällström, Stefano Leone, Olof Kordina, Erik Janzén, Krisztián Szász, Viktor Ivády, and Adam Gali
    Journal of Applied Physics 112 083711 (2012).

  • Ab Initio Study of Phosphorus Donors Acting as Quantum Bits in Silicon Nanowires
    Binghai Yan, Riccardo Rurali, and Ádám Gali
    Nano Letters 12 3460-3465 (2012).

  • Tuning the Optical Gap of Nanometer-Size Diamond Cages by Sulfurization: A Time-Dependent Density Functional Study
    Márton Vörös Tamás Demjén, Tibor Szilvási and Adam Gali
    Physical Review Letters 108 267401 (2012).

  • Optical identification and electronic configuration of tungsten in 4H- and 6H-SiC
    Andreas Gällström, Björn Magnusson, Franziska C. Beyer, Adam Gali, N.T. Son, Stefano Leone, Ivan G. Ivanov, Carl G. Hemmingsson, Anne Henry, Erik Janzén
    Physica B: Condensed Matter 407 1462-1466 (2012).

  • Anharmonic vibrations of the dicarbon antisite defect in 4H-SiC
    F. Yan, R. P. Devaty, W. J. Choyke, A. Gali, T. Kimoto, T. Ohshima, and G. Pensl
    Applied Physics Letters 100 132107 (2012).

  • Electrically driven single photon source at room temperature in diamond
    N. Mizuochi, T. Makino, H. Kato, D. Takeuchi, M. Ogura, H. Okushi, M. Nothaft, P. Neumann, A. Gali, F. Jelezko, J. Wrachtrup, and S. Yamasaki
    Nature Photonics 6 299-303 (2012).

  • Identification of defects at the interface between 3C-SiC quantum dots and a SiO₂ embedding matrix
    Márton Vörös, Adam Gali, Efthimios Kaxiras, Thomas Frauenheim, and Jan M. Knaup
    physica status solidi b 249 360-367 (2012).

  • Invited Feature Article: Excitation spectrum of point defects in semiconductors studied by time-dependent density functional theory
    Adam Gali
    Journal of Materials Research 27 897-909 (2012). DOI: 10.1557/jmr.2011.431

  • Characterization of luminescent silicon carbide nanocrystals prepared by reactive bonding and subsequent wet chemical etching
    David Beke, Zsolt Szekrényes, István Balogh, Miklós Veres, Éva Fazakas, Lajos K. Varga, Katalin Kamarás, Zsolt Czigány, and Adam Gali
    Applied Physics Letters 99 213108 (2011).

  • Asymmetric Split-Vacancy Defects in SiC Polytypes: A Combined Theoretical and Electron Spin Resonance Study
    Viktor Ivády, Andreas Gällström, Nguyen Tien Son, Erik Janzén, and Adam Gali
    Physical Review Letters 107 195501 (2011).

  • Effect of symmetry breaking on the optical absorption of semiconductor nanoparticles
    Adam Gali, Efthimios Kaxiras, Gergely T. Zimanyi, and Sheng Meng
    Physical Review B 84 035325 (2011).

  • Defects at nitrogen site in electron-irradiated AlN
    N.T. Son, A. Gali, Á. Szabó, M. Bickermann, T. Ohshima, J. Isoya, and E. Janzén
    Applied Physics Letters 98 242116 (2011).

  • Feature Article: Time-dependent density functional study on the excitation spectrum of point defects in semiconductors
    Adam Gali
    physica status solidi b 248 1337-1346 (2011).

  • Feature Article: Accurate gap levels and their role in the reliability of other calculated defect properties
    Peter Deák, Adam Gali, Bálint Aradi, and Thomas Frauenheim
    physica status solidi b 248 790-798 (2011).

  • Dark States of Single Nitrogen-Vacancy Centers in Diamond Unraveled by Single Shot NMR
    G. Waldherr, J. Beck, M. Steiner, P. Neumann, A. Gali, Th. Frauenheim, F. Jelezko, and J. Wrachtrup
    Physical Review Letters 106 157601 (2011).

  • Properties of nitrogen-vacancy centers in diamond: the group theoretic approach
    J R Maze, A Gali, E Togan, Y Chu, A Trifonov, E Kaxiras, and M D Lukin
    New Journal of Physics 13 025025 (2011).

  • An ab initio study of local vibration modes of the nitrogen-vacancy center in diamond
    Adam Gali, Tamás Simon, and John Edward Lowther
    New Journal of Physics 13 025016 (2011).

  • ¹³C hyperfine interactions in the nitrogen-vacancy centre in diamond
    Benjamin Smeltzer, Lilian Childress and Adam Gali
    New Journal of Physics 13 025021 (2011).

  • Direct correlation of crystal structure and optical properties in wurtzite/zinc-blende GaAs nanowire heterostructures
    Martin Heiss, Sonia Conesa-Boj, Jun Ren, Hsiang-Han Tseng, Adam Gali, Andreas Rudolph, Emanuele Uccelli, Francesca Peiró, Joan Ramon Morante, Dieter Schuh, Elisabeth Reiger, Efthimios Kaxiras, Jordi Arbiol, and Anna Fontcuberta i Morral
    Physical Review B 83 045303 (2011).

  • EPR and ab initio calculation study on the EI4 center in 4H- and 6H-SiC
    P. Carlsson, N. T. Son, A. Gali, J. Isoya, N. Morishita, T. Ohshima, B. Magnusson, and E. Janzén
    Physical Review B 82 235203 (2010).

  • Gate-Controlled Donor Activation in Silicon Nanowires
    Binghai Yan, Thomas Frauenheim, and Adam Gali
    Nano Letters 10 3791-3795 (2010).

  • The absorption of oxygenated silicon carbide nanoparticles
    Márton Vörös, Péter Deák, Thomas Frauenheim, and Adam Gali
    The Journal of Chemical Physics 133 064705 (2010).

  • Group-II acceptors in wurtzite AlN: A screened hybrid density functional study
    Áron Szabó, Nguyen Tien Son, Erik Janzén, and Adam Gali
    Applied Physics Letters 96 192110 (2010).

  • Accurate defect levels obtained from the HSE06 range-separated hybrid functional
    Peter Deák, Bálint Aradi, Thomas Frauenheim, Erik Janzén, and Adam Gali
    Physical Review B 81 153203 (2010).

  • The absorption spectrum of hydrogenated silicon carbide nanocrystals from ab initio calculations
    Márton Vörös, Peter Deák, Thomas Frauenheim, and Adam Gali
    Applied Physics Letters 96 051909 (2010).

  • Excited states of the negatively charged nitrogen-vacancy color center in diamond
    Yuchen Ma, Michael Rohlfing, and Adam Gali
    Physical Review B 81 041204(R) (2010).

  • Identification of individual ¹³C isotopes of nitrogen-vacancy center in diamond by combining the polarization studies of nuclear spins and first-principles calculations
    Adam Gali
    Physical Review B 80 241204(R) (2009).

  • High Energy Excitations in Silicon Nanoparticles
    Adam Gali, Márton Vörös, Dario Rocca, Gergely T. Zimanyi, and Giulia Galli
    Nano Letters 9 3780-3785 (2009).

  • Theory of Spin-Conserving Excitation of the N-V- Center in Diamond
    Adam Gali, Erik Janzén, Péter Deák, Georg Kresse and Efthimios Kaxiras
    Physical Review Letters 103 186404 (2009).

  • Optical absorption of diamond nanocrystals from ab initio density-functional calculations
    Márton Vörös and Adam Gali
    Physical Review B 80 161411(R) (2009).

  • Identification of a Frenkel-pair defect in electron-irradiated 3C SiC
    N. T. Son, E. Janzén, J. Isoya, N. Morishita, H. Hanaya, H. Takizawa, T. Ohshima, and A. Gali
    Physical Review B 80 125201 (2009).

  • Effect of oxygen on single-wall silicon carbide nanotubes studied by first-principles calculations
    Á. Szabó and A. Gali
    Physical Review B 80 075425 (2009).

  • Theory of the neutral nitrogen-vacancy center in diamond and its application to the realization of a qubit
    Adam Gali
    Physical Review B 79 235210 (2009).

  • Comment on "Ab Initio Electronic and Optical Properties of the (N-V)^- Center in Diamond"
    Adam Gali and Efthimios Kaxiras
    Physical Review Letters 102 149703 (2009).

  • Dicarbon antisite defect in n-type 4H-SiC
    T. Umeda, J. Isoya, N. Morishita, T. Ohshima, E. Janzén, and A. Gali
    Physical Review B 79 115211 (2009).

  • Donor levels in Si nanowires determined by hybrid-functional calculations
    Riccardo Rurali, Bálint Aradi, Thomas Frauenheim, and Ádám Gali
    Physical Review B 79 115303 (2009).

  • Challenges for ab initio defect modeling
    Peter Deák, Bálint Aradi, Thomas Frauenheim, and Adam Gali
    Materials Science and Engineering B 154-155 187-192 (2008).

  • Identification of intrinsic defects in SiC: Towards an understanding of defect aggregates by combining theoretical and experimental approaches
    Michel Bockstedte, Adam Gali, Alexander Mattausch, Oleg Pankratov, and John W. Steeds
    physica status solidi (b) 245 1281 (2008).

  • Intershell interaction in double walled carbon nanotubes: Charge transfer and orbital mixing
    V. Zólyomi, J. Koltai, Á. Rusznyák, J. Kürti, A. Gali, F. Simon, H. Kuzmany, Á. Szabados, and P. R. Surján
    Phys. Rev. B 77 245403 (2008).

  • Ab initio supercell calculations on nitrogen-vacancy center in diamond: Electronic structure and hyperfine tensors
    Adam Gali, Maria Fyta and Efthimios Kaxiras
    Phys. Rev. B 77 155206 (2008).

  • Theoretical study of small silicon clusters in 4H-SiC
    T. Hornos, N. T. Son, E. Janzén, and A. Gali
    Phys. Rev. B 76 165209 (2007).

  • The mechanism of defect creation and passivation at the SiC/SiO₂ interface
    Peter Deák, Jan M Knaup, Tamás Hornos, Christoph Thill, Adam Gali and Thomas Frauenheim
    J. Phys. D 40 6242-6253 (2007).

  • Accurate single-particle determination of the band gap in silicon nanowires
    R. Rurali, B. Aradi, Th. Frauenheim, and A. Gali
    Phys. Rev. B 76 113303 (2007).

  • Identification of positively charged carbon antisite-vacancy pairs in 4H-SiC
    T. Umeda, J. Ishoya, T. Ohshima, N. Morishita, H. Itoh, and A. Gali
    Phys. Rev. B 75 245202 (2007).

  • Limits of the scaled shift correction to levels of interstitial defects in semiconductors
    P. Deák, Th. Frauenheim, and A. Gali
    Phys. Rev. B 75 153204 (2007).

  • Ab initio theoretical study of hydrogen and its interaction with boron acceptors and nitrogen donors in single-wall silicon carbide nanotubes
    A. Gali
    Phys. Rev. B 75 085416 (2007).

  • Ab initio supercell calculations on aluminum-related defects in SiC
    A. Gali, T. Hornos, N. T. Son, E. Janzén, and W. J. Choyke
    Phys. Rev. B 75 045211 (2007).

  • Semiconductor-to-metal transition of double walled carbon nanotubes induced by inter-shell interaction
    V. Zólyomi, Á. Rusznyák, J. Kürti, Á. Gali, F. Simon, H. Kuzmany, Á. Szabados, and P. R. Surján
    Phys. Stat. Sol. (b) 243 3476 (2006).

  • Ab initio study of nitrogen and boron substitutional impurities in single-wall SiC nanotubes
    A. Gali
    Phys. Rev. B 73 245415 (2006).

  • Strain-Free Polarization Superlattice in Silicon Carbide: A Theoretical Investigation
    P. Deák, A. Buruzs, A. Gali, and Th. Frauenheim
    Phys. Rev. Lett. 96 236803 (2006).

  • Identification of the Carbon Antisite-Vacancy Pair in 4H-SiC
    T. Umeda, N. T. Son, J. Isoya, E. Janzén, T. Ohshima, N. Morishita, H. Itoh, A. Gali, and M. Bockstedte
    Phys. Rev. Lett. 96 145501 (2006).

  • Electrical characterization of metastable carbon clusters in SiC: A theoretical study
    A. Gali, N. T. Son, and E. Janzén
    Phys. Rev. B 73 033204 (2006).

  • Divacancy in 4H-SiC
    N. T. Son, P. Carlsson, J. ul Hassan, E. Janzén, T. Umeda, J. Isoya, A. Gali, M. Bockstedte, N. Morishita, T. Ohshima, and H. Itoh
    Phys. Rev. Lett. 96 055501 (2006).

  • Electron paramagnetic resonance and theoretical studies of shallow phosphorous centers in 3C-, 4H-, and 6H-SiC
    N. T. Son, A. Henry, J. Isoya, M. Katagiri, T. Umeda, A. Gali, and E. Janzén
    Phys. Rev. B 73 075201 (2006).

  • Doping of phosphorus in chemical-vapor-deposited silicon carbide layers: A theoretical study
    T. Hornos, A. Gali, R. P. Devaty, and W. J. Choyke
    Appl. Phys. Lett. 87 212114 (2005).

  • Defects in SiO₂ as the possible origin of near interface traps in the SiC/SiO₂ system: A systematic theoretical study
    J. M. Knaup, P. Deák, Th. Frauenheim, A. Gali, Z. Hajnal, and W. J. Choyke
    Phys. Rev. B 72 115323 (2005).

  • Theoretical study of the mechanism of dry oxidation of 4H-SiC
    J. M. Knaup, P. Deák, Th. Frauenheim, A. Gali, Z. Hajnal, and W. J. Choyke
    Phys. Rev. B 71 235321 (2005).

  • EPR and theoretical studies of negatively charged carbon vacancy in 4H-SiC
    T. Umeda, Y. Ishitsuka, J. Isoya, N. T. Son, E. Janzén, N. Morishita, T. Ohshima, H. Itoh, and A. Gali
    Phys. Rev. B 71 193202 (2005).

  • Electronic structures of boron-interstitial clusters in silicon
    P. Deák, A. Gali, A. Sólyom, A. Buruzs, and Th. Frauenheim
    Journal of Physics: Cond. Matter 17 S2141-S2153 (2005).

  • Activation of shallow boron acceptor in C/B coimplanted silicon carbide: A theoretical study
    A. Gali, T. Hornos, P. Deák, N. T. Son, E. Janzén, and W. J. Choyke
    Appl. Phys. Lett. 86 102108 (2005).

  • Possibility for the electrical activation of the carbon antisite by hydrogen in SiC
    A. Gali, P. Deák, N. T. Son, and E. Janzén
    Phys. Rev. B 71 035213 (2005).

  • EPR and theoretical studies of positively charged carbon vacancy in 4H-SiC
    T. Umeda, J. Isoya, N. Morishita, T. Ohshima, T. Kamiya, A. Gali, P. Deák, N. T. Son, and E. Janzén
    Phys. Rev. B 70 235212 (2004).

  • Diffusion of hydrogen in perfect, p-type doped, and radiation-damaged 4H-SiC
    A. Aradi, P. Deák, A. Gali, N. T. Son, and E. Janzén
    Phys. Rev. B 69 233202 (2004).

  • Defects of the SiC/SiO₂ interface: energetics of the elementary steps of the oxidation reaction
    P. Deák, A. Gali, J. Knaup, Z. Hajnal, Th. Frauenheim, P. Ordejón, and W. J. Choyke
    Physica B 340-342 1069-1073 (2003).

  • Anti-site pair in SiC: a model of the D_I center
    A. Gali, P. Deák, E. Rauls, N. T. Son, I. G. Ivanov, F. H. C. Carlsson, E. Janzén, and W. J. Choyke
    Physica B 340-342 175-179 (2003).

  • Theoretical study of vacancy diffusion and vacancy-assisted clustering of antisites in SiC
    E. Rauls, Th. Frauenheim, A. Gali, and P. Deák
    Phys. Rev. B 68 155208 (2003).

  • Aggregation of carbon interstitials in silicon carbide: A theoretical study
    A. Gali, P. Deák, P. Ordejón, N. T. Son, E. Janzén, and W. J. Choyke
    Phys. Rev. B 68 125201 (2003).

  • Hydrogen passivation of nitrogen in SiC
    A. Gali, P. Deák, N. T. Son, and E. Janzén
    Appl. Phys. Lett. 83 1385-1387 (2003).

  • Physics and chemistry of hydrogen in the vacancies of semiconductors
    B. Szûcs, A. Gali, Z. Hajnal, P. Deák, and Chris G. Van de Walle
    Phys. Rev. B 68 085202 (2003).

  • Studies of boron - interstitial clusters (BIC) in Si
    P. Deák, A. Gali, A. Sólyom, P. Ordejón, K. Kamarás, and G. Battistig
    Journal of Physics: Cond. Matter 15 4967-4977 (2003).

  • Correlation between the antisite pair and the D_I center in SiC
    A. Gali, P. Deák, E. Rauls, N. T. Son, I. G. Ivanov, F. H. C. Carlsson, E. Janzén, and W. J. Choyke
    Phys. Rev. B 67 155203 (2003).

  • "Some like it shallower" - p-type doping in SiC
    P. Deák, B. Aradi, A. Gali and U. Gerstmann
    phys. stat. sol. (b) 235 139-145 (2003).

  • Isolated oxygen defects in 3C- and 4H-SiC: A theoretical study
    A. Gali, D. Heringer, P. Deák, Z. Hajnal, Th. Frauenheim, R. P. Devaty, and W. J. Choyke
    Phys. Rev. B 66 125208 (2002).

  • Anharmonicity of the C-H stretch mode in SiC: Unambiguous identification of hydrogen-silicon vacancy defect
    A. Gali, B. Aradi, D. Heringer, W. J. Choyke, R. P. Devaty, and S. Bai
    Appl. Phys. Lett. 80 237-239 (2002).

  • Passivation of p-type dopants in 4H-SiC by hydrogen
    B. Aradi, A. Gali, P. Deák, N. T. Son and E. Janzén
    Physica B 308-310 722-725 (2001).

  • Defect states of substitutional oxygen in diamond
    A. Gali, J. E. Lowther, and P. Deák
    J. Phys.: Condens. Matter 13 11607-11613 (2001).

  • Boron and aluminium doping in SiC and its passivation by hydrogen
    Peter Deák, Bálint Aradi and Adam Gali
    J. Phys.: Condens. Matter 13 9019-9026 (2001).

  • Ab initio density-functional supercell calculations of hydrogen defects in cubic SiC
    B. Aradi, A. Gali, P. Deák, J. E. Lowther, N. T. Son, E. Janzén, and W. J. Choyke
    Phys. Rev. B 63 245202 (2001) 19 pages.

  • Overcoordinated Hydrogens in the Carbon Vacancy --Donor Centers of SiC
    A. Gali, B. Aradi, P. Deák, W. J. Choyke and N. T. Son,
    Phys. Rev. Lett. 84 4926-4929 (2000).

  • Phosphorus-related deep donor in SiC
    A. Gali, P. Deák, P. R. Briddon, R. P. Devaty and W. J. Choyke,
    Phys. Rev. B 61 12602-12604 (2000).

  • The spin state of the neutral silicon vacancy in 3C-SiC
    P. Deák, J. Miró, A. Gali, L. Udvardi and H. Overhof,
    Appl. Phys. Lett. 75 2103-2105 (1999).

  • Boron-vacancy complex in SiC
    A. Gali, P. Deák, R. P. Devaty and W. J. Choyke,
    Phys. Rev. B 60 10620-10623(1999).

  • The Role of Oxygen Vacancy States in the n-type Conduction of ß-GaO
    Z. Hajnal, J. Miró, A. Gali, P. Deák,
    Phys. Stat. Sol. Rap. Res. Note, 99 -001 (1999).

  • Theoretical studies on nitrogen-oxygen complexes in silicon
    A. Gali, J. Miró, P. Deák, C. P. Ewels and R. Jones,
    J. Phys.: Condens. Matter 8 7711-7722 (1996).

  • Calculation of Migration Barriers on Hydrogenated Diamond Surfaces
    A. Gali, A. Mészáros and P. Deák,
    Diamond & Rel. Mater. 5 613-616 (1996).

  • Modelling of stress induced diamond nucleation
    P. Deák, A. Gali, S. Sczigel and H. Ehrhardt,
    Diamond & Rel. Mater. 5 706-709 (1995).

  
  

  Proceedings:

  • Investigation of Mo Defects in 4H-SiC by Means of Density Functional Theory
    A. Csóré, A. Gällström, E. Janzén, and A. Gali
    Mater. Sci. Forum 858 261-264 (2016).

  • Optical Nuclear Spin Polarization of Divacancies in SiC
    V. Ivády, K. Szász, A. L. Falk, P. V. Klimov, D. J. Christle, W. F. Koehl, E. Janzén, I. A. Abrikosov, D. D. Awschalom, and A. Gali
    Mater. Sci. Forum 858 287-290 (2016).

  • First Principles Identification of Divacancy Related Photoluminescence Lines in 4H and 6H-SiC
    V. Ivády, K. Szász, A. L. Falk, P. V. Klimov, D. J. Christle, W. F. Koehl, E. Janzén, I. A. Abrikosov, D. D. Awschalom, and A. Gali
    Mater. Sci. Forum 858 322-325 (2016).

  • Engineering Single Defects in Silicon Carbide Bulk, Nanostructures and Devices
    A. Lohrmann, B.C. Johnson, A.F.M. Almutairi, D.W.M. Lau, M. Negri, M. Bosi, B.C. Gibson, J.C. McCallum, A. Gali, T. Ohshima, S. Castelletto
    Mater. Sci. Forum 858 312-317 (2016).

  • Two-site diamond-like point defects as new single-photon emitters
    Zoltán Bodrog and Adam Gali
    EPJ Web of Conferences 78 05001 (2014).

  • First Principles Investigation of Divacancy in SiC Polytypes for Solid State Qubit Application
    Krisztián Szász, Viktor Ivády, Erik Janzén, and Adam Gali
    Mater. Sci. Forum 778-780 499-502 (2014).

  • Theoretical Investigation of the Single Photon Emitter Carbon Antisite-Vacancy Pair in 4H-SiC
    Viktor Ivády, Igor Abrikosov, Erik Janzén, and Adam Gali
    Mater. Sci. Forum 778-780 495-498 (2014).

  • Optical Properties of the Niobium Centre in 4H, 6H, and 15R SiC
    Ivan G. Ivanov, Andreas Göllström, Stefano Leone, Olof Kordina, N.T. Son, Anne Henry, Viktor Ivády, Adam Gali, and Erik Janzén
    Mater. Sci. Forum 740-742 405-408 (2013).

  • Introducing Color Centers to Silicon Carbide Nanocrystals for In Vivo Biomarker Applications: A First Principles Study
    Bálint Somogyi, Viktor Zólyomi and Adam Gali
    Mater. Sci. Forum 740-742 641-644 (2013).

  • Excitation Properties of Silicon Vacancy in Silicon Carbide
    Adam Gali
    Mater. Sci. Forum 717-720 255-258 (2012).

  • Transition Metal Defects in Cubic and Hexagonal Polytypes of SiC: Site Selection, Magnetic and Optical Properties from ab initio Calculations
    V. Ivády, B. Somogyi, V. Zólyomi, A. Gällström, N.T. Son, E. Janzén, and A. Gali
    Mater. Sci. Forum 717-720 205-210 (2012).

  • Electronic Configuration of Tungsten in 4H-, 6H-, and 15R-SiC
    A. Gällström, B. Magnusson, F.C. Beyer, A. Gali, N.T. Son, S. Leone, I.G. Ivanov, A. Henry, C.G. Hemmingsson, and E. Janzén
    Mater. Sci. Forum 717-720 211-216 (2012).

  • Identification of Niobium in 4H-SiC by EPR and ab initio Studies
    N.T. Son, V. Ivády, A. Gali, A. Gällström, S. Leone, O. Kordina, and E. Janzén
    Mater. Sci. Forum 717-720 217-220 (2012).

  • Local Thermal Expansion and the C-C Stretch Vibration of the Dicarbon Antisite in 4H SiC
    R.P. Devaty, Fei Yan, W.J. Choyke, A. Gali, T. Kimoto, and T. Ohshima
    Mater. Sci. Forum 717-720 263-266 (2012).

  • The Absorption of Diamondoids from Time-dependent Density Functional Calculations
    Márton Vörös, Tamás Demjén, and Adam Gali
    MRS Proceedings 1370 mrss11-1370-yy02-07 (2011).

  • Group theoretical analysis of nitrogen-vacancy center's energy levels and selection rules
    J R Maze, A Gali, E Togan, Y Chu, A Trifonov, E Kaxiras, and M D Lukin
    MRS Proceedings 1282 mrsf10-1282-a07-03 (2011).

  • Influence of Oxygen on the Absorption of Silicon Carbide Nanoparticles
    M. Vörös, Peter Deák, Th. Frauenheim, and A. Gali
    Mater. Sci. Forum 679-680 520-523 (2011).

  • Time-Dependent Density Functional Calculations on Hydrogenated Silicon Carbide Nanocrystals
    M. Vörös, Peter Deák, Th. Frauenheim, and A. Gali
    Mater. Sci. Forum 679-680 516-519 (2011).

  • Large-Scale Electronic Structure Calculations of Vacancies in 4H-SiC Using the Heyd-Scuseria-Ernzerhof Screened Hybrid Density Functional
    T. Hornos,A. Gali, and B.G. Svensson
    Mater. Sci. Forum 679-680 261-264 (2011).

  • Defects in SiC: theory
    A. Gali
    Mater. Sci. Forum 679-680 225-232 (2011).

  • Annealing simulations to determine the matrix interface structure of SiC quantum dots embedded in SiO₂
    Jan M. Knaup, Márton Vörös, Peter Deák, Adam Gali, Thomas Frauenheim, and Efthimios Kaxiras
    physica status solidi (c) 7 407-410 (2010).

  • Theory of neutral divacancy in SiC: a defect for spintronics
    A. Gali, A. Gällström, N. T. Son, and E. Janzén
    Mater. Sci. Forum 645-648 395-397 (2010).

  • New lines and issues associated with deep defect spectra in electron, proton and ⁴He ion irradiated 4H SiC
    F. Yan, R.P. Devaty, W.J. Choyke, T. Kimoto, T. Ohshima, G. Pensland A. Gali
    Mater. Sci. Forum 645-648 411-414 (2010).

  • The silicon vacancy in SiC
    Janzén Erik, Gali Adam, Carlsson Patrick, Gällström Andreas, Magnusson Björn, Son N T
    Physica B 404 4354-4358 (2009).

  • The Silicon Vacancy in SiC
    E. Janzén, A. Gali, P. Carlsson, A. Gällström, B. Magnusson, N. T. Son
    Mater. Sci. Forum 615-617 347-352 (2009).

  • Identification of the Negative Di-Carbon Antisite Defect in n-Type 4H-SiC
    A. Gali, T. Umeda, E. Janzén, N. Morishita, T. Ohshima, J. Isoya
    Mater. Sci. Forum 615-617 361-364 (2009).

  • Defects Introduced by Electron-Irradiation at Low Temperatures in SiC
    N. T. Son, J. Isoya, N. Morishita, T. Ohshima, H. Itoh, A. Gali, Erik Janzén
    Mater. Sci. Forum 615-617 377-380 (2009).

  • New Type of Defects Explored by Theory: Silicon Interstitial Clusters in SiC
    A. Gali, T. Hornos, N. T. Son, Erik Janzén
    Mater. Sci. Forum 600-603 413-416 (2009).

  • Defects Identified in SiC and Their Implications
    M. Bockstedte, A. Marini, A. Gali, Oleg Pankratov, A. Rubio
    Mater. Sci. Forum 600-603 285-290 (2009).

  • Ádám Gali, Michel Bockstedte, Ngyen Tien Son, Erik Janzén: Point Defects in SiC
    in Silicon Carbide 2008 - Materials, Processing and Devices, edited by M. Dudley, C.M. Johnson, A. Powell, S.-H. Ryu
    (Mater. Res. Soc. Symp. Proc. Volume 1069, Warrendale, PA, 2008), 1069-D03-01

  • The Mechanism of Interface State Passivation by NO
    P. Deák, T. Hornos, Ch. Thill, J. Knaup, A. Gali, and Th. Frauenheim
    Mater. Sci. Forum 556-557 541-544 (2007).

  • A Theoretical Study on Aluminum-related Defects in SiC
    T. Hornos, A. Gali, N. T. Son, and E. Janzén
    Mater. Sci. Forum 556-557 445-448 (2007).

  • Point Defects and their Aggregation in Silicon Carbide
    A. Gali, T. Hornos, M. Bockstedte and Th. Frauenheim
    Mater. Sci. Forum 556-557 439-444 (2007).

  • Identification of divacancies in 4H-SiC
    N.T. Son, T. Umeda, J. Isoya, A. Gali, M. Bockstedte, B. Magnusson, A. Ellison, N. Morishita, T. Ohshima, H. Itoh, and E. Janzén
    Physica B: Condensed Matter 376-377 334-337 (2006).

  • Pulsed EPR studies of Phosphorus shallow donors in diamond and SiC
    J. Isoya, M. Katagiri, T. Umeda, S. Koizumi, H. Kanda, N. T. Son, A. Henry, A. Gali, and E. Janzén
    Physica B: Condensed Matter 376-377 358-361 (2006).

  • Silicon Carbide: A Playground for 1D-Modulation Electronics
    P. Deák, A. Buruzs, A. Gali, Th. Frauenheim, and W.J. Choyke
    Mater. Sci. Forum 527-529 355-358 (2006).

  • Divacancy and its Identification: Theory
    A. Gali, M. Bockstedte, N.T. Son, T. Umeda, J. Isoya and E. Janzén
    Mater. Sci. Forum 527-529 523-526 (2006).

  • Divacancy Model for P6/P7 Centers in 4H- and 6H-SiC
    N.T. Son, T. Umeda, J. Isoya, A. Gali, M. Bockstedte, B. Magnusson, A. Ellison, N. Morishita, T. Ohshima, H. Itoh and E. Janzén
    Mater. Sci. Forum 527-529 527-530 (2006).

  • Signature of the Negative Carbon Vacancy-Antisite Complex
    M. Bockstedte, A. Gali, T. Umeda, N.T. Son, J. Isoya and E. Janzén
    Mater. Sci. Forum 527-529 539-542 (2006).

  • Evidence for Phosphorus on Carbon and Silicon Sites in 6H and 4H SiC
    F. Yan, R.P. Devaty, W.J. Choyke, A. Gali, I.B. Bhat and D.J. Larkin
    Mater. Sci. Forum 527-529 585-588 (2006).

  • Shallow P Donors in 3C-, 4H- and 6H-SiC
    J. Isoya, M. Katagiri, T. Umeda, N.T. Son, A. Henry, A. Gali, N. Morishita, T. Ohshima, H. Itoh and E. Janzén
    Mater. Sci. Forum 527-529 593-596 (2006).

  • A Theoretical Study on Doping of Phosphorus in Chemical Vapor Deposited SiC Layers
    T. Hornos, A. Gali, R.P. Devaty and W.J. Choyke
    Mater. Sci. Forum 527-529 605-608 (2006).

  • Evolution of Defect and Hydrogen-Related Low Temperature Photoluminescence Spectra with Annealing for Hydrogen or Helium Implanted 6H SiC
    F. Yan, R.P. Devaty, W.J. Choyke, A. Gali, F. Schmid, G. Pensl, G. Wagner
    Mater. Sci. Forum 483-485 493-496 (2005).

  • Theoretical Investigations of Complexes of p-Type Dopants and Carbon Interstitial in SiC: Bistable, Negative-U Defects
    A. Gali, T. Hornos, P. Deák, N.T. Son, E. Janzén, and W.J. Choyke
    Mater. Sci. Forum 483-485 519-522 (2005).

  • The Search for Near Interface Oxide Traps - First-Principles Calculations on Intrinsic SiO₂ Defects
    J.M. Knaup, P. Deák, A. Gali, Z. Hajnal, Th. Frauenheim, and W.J. Choyke
    Mater. Sci. Forum 483-485 569-572 (2005).

  • Antisites as possible origin of irradiation induced photoluminescence centers in SiC: A theoretical study on clusters of antisites and carbon interstitials in 4H-SiC
    A. Gali, P. Deák, E. Rauls, P. Ordejón, F.H.C. Carlsson, I. Ivanov, N.T. Son, E. Janzén, and W.J. Choyke
    Mater. Sci. Forum 457-460 443-448 (2004).

  • The true nature of the shallow boron acceptor in SiC - localization vs. effective mass theory
    U. Gerstmann, A. Gali, P. Deák, H. Overhof, and Th. Frauenheim
    Mater. Sci. Forum 457-460 711-714 (2004).

  • Theoretical Study of Antisite Aggregation in α-SiC
    E. Rauls, A. Gali, P. Deák, and Th. Frauenheim
    Mater. Sci. Forum 433-436 491-494 (2003).

  • Calculation of Hyperfine Constants of Defects in 4H-SiC
    A. Gali, P. Deák, N.T. Son, E. Janzén, H.J. von Bardeleben, and Jean-Louis Monge
    Mater. Sci. Forum 433-436 511-514 (2003).

  • A Shallow Acceptor Complex in 4H-SiC: Al_SiN_CAl_Si
    P. Deák, B. Aradi, A. Gali, U. Gerstmann, and W.J. Choyke
    Mater. Sci. Forum 433-436 523-526 (2003).

  • A Cause for SiC/SiO₂ Interface States: the Site Selection of Oxygen in SiC
    P. Deák, A. Gali, Z. Hajnal, Th. Frauenheim, N.T. Son, E. Janzén, W.J. Choyke, and P. Ordejón
    Mater. Sci. Forum 433-436 535-538 (2003).

  • Impurity-Controlled Dopant Activation - The Role of Hydrogen in p-Type Doping of SiC
    B. Aradi, A. Gali, P. Deák, N.T. Son and E. Janzén
    Mater. Sci. Forum 389-393 561-564 (2002).

  • Experiment and Theory of the Anharmonic Effect in C-H and C-D Vibrations of SiC
    W.J. Choyke, R.P. Devaty, S. Bai, A. Gali, Peter Deák and G. Pensl
    Mater. Sci. Forum 389-393 585-589 (2002).

  • Theoretical Investigation of an Intrinsic Defect in SiC
    A. Gali, P. Deák, N.T. Son and E. Janzén
    Mater. Sci. Forum 389-393 477-480 (2002).

  • Electrical activity of oxygen defects in SiC
    A. Gali, D. Heringer, P. Deák, Z. Hajnal, Th. Frauenheim and W. J. Choyke
    Mater. Sci. Forum 353-356 463-466 (2001).

  • Theory of hydrogen-related defects in SiC
    P. Deák, A. Gali, and B. Aradi
    Mater. Sci. Forum 353-356 421-426 (2001).

  • Boron centers in 4H-SiC
    B. Aradi, A. Gali, P. Deák, E. Rauls, Th. Frauenheim and N. T. Son
    Mater. Sci. Forum 353-356 455-458 (2001).

  • Intrinsic defect complexes in α-SiC: the formation of anti-site pairs
    E. Rauls, Z. Hajnal, A. Gali, P. Deák, and Th. Frauenheim
    Mater. Sci. Forum 353-356 435-438 (2001).

  • Dopant-related complexes in SiC
    A. Gali, J. Miró, P. Deák, R. P. Devaty and W. J. Choyke
    Mater. Sci. Forum 338-342 795-798 (2000).

  • Vacancies and their complexes with hydrogen in SiC
    P. Deák, B. Aradi, A. Gali, W. J. Choyke, N. T. Son, and E. Janzén
    Mater. Sci. Forum 338-342 817-820 (2000).

  • Theoretical Studies on N,O and Other Defects in SiC
    P. Deák, A. Gali, J. Miró, R. Guiterrez, A. Sieck and Th. Frauenheim,
    Mater. Sci. Forum, 264-268 279-282 (1998).

  • Theoretical Studies on Defects in SiC
    P. Deák, A. Gali, J. Miró, R. Guiterrez, A. Sieck and Th. Frauenheim,
    Mater. Sci. Forum, 258-263 739-744 (1997).

  • Shallow N-O donors in Silicon
    A. Gali, J. Miró and P. Deák,
    in Early Stages of Oxygen Precipitation in Silicon , ed. R. Jones [Kluwer Acad. Publ., Dordrecht], NATO ASI series 17, 419-425 (1996).

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