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Adam2008 \'{A}d\'{a}m Gali; P\'{e}ter De\'{a}k; B\'{a}lint Aradi; Riccardo Rurali (2008): Hybrid functional and GW calculations on defects in semiconductors: from quantitative to qualitative changes of defect levels and states compared to standard DFT methods. %publisher% , Deutche Physikgemeinschaft (DPG) Spring Meeting
aharonovich2014optical Aharonovich, Igor; Toth, Milos (2014): Optical materials: Silicon carbide goes quantum. Nature Physics , 10, 93--94
Bardeleben2012 von Bardeleben, H. J.; Cantin, J. L.; Gerstmann, U.; Scholle, A.; Greulich-Weber, S.; Rauls, E.; Landmann, M.; Schmidt, W. G.; Gentils, A.; Botsoa, J.; Barthe, M. F. (2012): Identification of the Nitrogen Split Interstitial $(\mathbf{N}\mathbf{\text{-}}\mathbf{N}{)}_{\mathbf{N}}$ in GaN. Phys. Rev. Lett. , 109, 206402
becher2014fluorescent Becher, Christoph (2014): Fluorescent nanoparticles: Diamonds from outer space. Nature nanotechnology , 9, 16--17
Beke2011 Beke, David; Szekr\'enyes, Zsolt; Balogh, Istv\'an; Veres, Mikl\'os; Fazakas, \'Eva; Varga, Lajos K.; Kamar\'as, Katalin; Czig\'any, Zsolt; Gali, Adam (2011): Characterization of luminescent silicon carbide nanocrystals prepared by reactive bonding and subsequent wet chemical etching. Applied Physics Letters , 99, 213108
Beke2013_bio Beke,David; Szekr\'enyes,Zsolt; P\'alfi,Denes; R\'ona,Gergely; Balogh,Istv\'an; Ma\'ak,Pal Andor; Katona,Gergely; Czig\'any,Zsolt; Kamar\'as,Katalin; R\'ozsa,Balazs; Buday,Laszlo; V\'ertessy,Beata; Gali,Adam (2013): Silicon carbide quantum dots for bioimaging. Journal of Materials Research , 28, 205--209
bodrog2014spin Bodrog, Zoltán; Gali, Adam (2014): The spin–spin zero-field splitting tensor in the projector-augmented-wave method. Journal of Physics: Condensed Matter , 26, 015305
boretti2014optical Boretti, Alberto (2014): Optical materials: Silicon carbide's quantum aspects. Nature Photonics , 8, 88--90
Bradac2010 Bradac, C.; Gaebel, T.; Naidoo, N.; Sellars, M.J.; Twamley, J.; Brown, L.J.; Barnard, A.S.; Plakhotnik, T.; Zvyagin, A.V.; Rabeau, J.R. (2010): Observation and control of blinking nitrogen-vacancy centres in discrete nanodiamonds. Nature Nanotechnology , 5, 345-349
C2NR32442C Somogyi, Balint; Zolyomi, Viktor; Gali, Adam (2012): Near-infrared luminescent cubic silicon carbide nanocrystals for in vivo biomarker applications: an ab initio study. Nanoscale , 4, 7720-7726
C4TA01543F Voros, Marton; Wippermann, Stefan; Somogyi, Balint; Gali, Adam; Rocca, Dario; Galli, Giulia; Zimanyi, Gergely T. (2014): Germanium nanoparticles with non-diamond core structures for solar energy conversion. J. Mater. Chem. A , 2, 9820-9827
castelletto2014room Castelletto, Stefania; Johnson, Brett C.; Zachreson, Cameron; Beke, David; Balogh, István; Ohshima, Takeshi; Aharonovich, Igor; Gali, Adam (2014): Room Temperature Quantum Emission from Cubic Silicon Carbide Nanoparticles. ACS Nano , 8, 7938-7947
castelletto2014silicon Castelletto, S; Johnson, BC; Iv{\'a}dy, Viktor; Stavrias, N; Umeda, T; Gali, A; Ohshima, T (2014): A silicon carbide room-temperature single-photon source. Nature materials , 13, 151--156
Chang2005 Chang, Hao; Wu, Jian; Gu, Bing-Lin; Liu, Feng; Duan, Wenhui (2005): Physical Origin of Hydrogen-Adsorption-Induced Metallization of the SiC Surface: n-Type Doping via Formation of Hydrogen Bridge Bond. Physical Review Letters , 95, %pages%
Clark1995 Clark, C. D.; Kanda, H.; Kiflawi, I.; Sittas, G. (1995): Silicon defects in diamond. Phys. Rev. B , 51, 16681--16688
Deak2005 P\'{e}ter, De\'{a}k; \'{A}d\'{a}m, Gali; Andr\'{a}s, S\'{o}lyom; \'{A}d\'{a}m, Buruzs; Thomas, Frauenheim (2005): Electronic structure of boron-interstitial clusters in silicon. Journal of Physics: Condensed Matter , 17, 2141-2153
Deak2007 De\'{a}k, P\'{e}ter; Frauenheim, Thomas; Gali, \'{A}d\'{a}m (2007): Limits of the scaled shift correction to levels of interstitial defects in semiconductors. Physical Review B , 75, %pages%
Deak2008 P\'{e}ter, De\'{a}k; B\'{a}lint, Aradi; Thomas, Frauenheim; \'{A}d\'{a}m, Gali (2008): Challenges for ab initio defect modeling. Materials Science and Engineering: B , 154-155, 187--192
Deak2014 De\'ak, Peter; Aradi, B\'alint; Kaviani, Moloud; Frauenheim, Thomas; Gali, Adam (2014): Formation of NV centers in diamond: A theoretical study based on calculated transitions and migration of nitrogen and vacancy related defects. Phys. Rev. B , 89, 075203
demjan2014electronic Demján, Tamás; Vörös, Márton; Palummo, Maurizia; Gali, Adam (2014): Electronic and optical properties of pure and modified diamondoids studied by many-body perturbation theory and time-dependent density functional theory. The Journal of Chemical Physics , 141, 064308
doi:10.1021/nl300816t Yan, Binghai; Rurali, Riccardo; Gali, \'Ad\'am (2012): Ab Initio Study of Phosphorus Donors Acting as Quantum Bits in Silicon Nanowires. Nano Letters , 12, 3460-3465
doi:10.1021/nl901970u Gali, Adam; Vörös, Márton; Rocca, Dario; Zimanyi, Gergely T.; Galli, Giulia (2009): High-Energy Excitations in Silicon Nanoparticles. Nano Letters , 9, 3780-3785
Edmonds2008 Edmonds, A. M.; Newton, M. E.; Martineau, P. M.; Twitchen, D. J.; Williams, S. D. (2008): Electron paramagnetic resonance studies of silicon-related defects in diamond. Phys. Rev. B , 77, 245205
Gali10 Gali, A.; G\"allstr\"om, A.; Son, N.T.; Janz\'en, E. (2010): Theory of Neutral Divacancy in SiC: A Defect for Spintronics. Mater. Sci. Forum , 645-648, 395-397
Gali2000 Gali, A.; Aradi, B.; De\'{a}k, P.; Choyke, W.; Son, N. (2000): Overcoordinated Hydrogens in the Carbon Vacancy: Donor Centers of SiC. Physical Review Letters , 84, 4926--4929
Gali2009 Gali, \'{A}d\'{a}m; Erik, Janz\'{e}n; De\'{a}k, P\'{e}ter; Georg, Kresse; Efthimios, Kaxiras (2009): Theory of Spin-Conserving Excitation of the N-V- Center in Diamond. Physical Review Letters , 103, 186404
Gali2011-TDDFT Gali, Adam (2011): Time-dependent density functional study on the excitation spectrum of point defects in semiconductors. physica status solidi (b) , 248, 1337--1346
Gali2012-MSF Gali, A. (2012): Excitation Properties of Silicon Vacancy in Silicon Carbide. Mater. Sci. Forum , 717-720, 255-258
Gali2012-TDDFT Gali, A. (2012): Excitation spectrum of point defects in semiconductors studied by time-dependent density functional theory. J. Mater. Res. , 27, 897-909
gali2013ab Gali, Adam; Maze, Jeronimo R (2013): Ab initio study of the split silicon-vacancy defect in diamond: Electronic structure and related properties. Physical Review B , 88, 235205
Goss2007 Goss, J. P.; Briddon, P. R.; Shaw, M. J. (2007): Density functional simulations of silicon-containing point defects in diamond. Phys. Rev. B , 76, 075204
Haenens2011 D'Haenens-Johansson, U. F. S.; Edmonds, A. M.; Green, B. L.; Newton, M. E.; Davies, G.; Martineau, P. M.; Khan, R. U. A.; Twitchen, D. J. (2011): Optical properties of the neutral silicon split-vacancy center in diamond. Phys. Rev. B , 84, 245208
Koehl2011 Koehl, William F.; Buckley, Bob B.; Heremans, F. J.; Calusine, Greg; Awschalom, David D. (2011): Room temperature coherent control of defect spin qubits in silicon carbide. Nature , 479, 84-87
Kotani Kotani, Takao; van Schilfgaarde, Mark (2010): Impact ionization rates for Si, GaAs, InAs, ZnS, and GaN in the $GW$ approximation. Phys. Rev. B , 81, 125201
malone2014first Malone, Brad D.; Gali, Adam; Kaxiras, Efthimios (2014): First principles study of point defects in SnS. Phys. Chem. Chem. Phys. , 16, 26176-26183
MazeGali2011 J R Maze; A Gali; E Togan; Y Chu; A Trifonov; E Kaxiras; M D Lukin (2011): Properties of nitrogen-vacancy centers in diamond: the group theoretic approach. New Journal of Physics , 13, 025025
Moloud2014 Kaviani, Moloud; De\'{a}k, Peter; Aradi, B\'{a}lint; Frauenheim, Thomas; Chou, Jyh-Pin; Gali, Adam (2014): Proper Surface Termination for Luminescent Near-Surface NV centers in Diamomnd. Nano Letters , 14, 4772-4777
Neu2012 Neu, Elke; Albrecht, Roland; Fischer, Martin; Gsell, Stefan; Schreck, Matthias; Becher, Christoph (2012): Electronic transitions of single silicon vacancy centers in the near-infrared spectral region. Phys. Rev. B , 85, 245207
Okai2012 Ofori-Okai, B.K.; Pezzagna, S.; Chang, K.; Loretz, M.; Schirhagl, R.; Tao, Y.; Moores, B.A.; Groot-Berning, K.; Meijer, J.; Degen, C.L. (2012): Spin properties of very shallow nitrogen vacancy defects in diamond. Physical Review B , 86, 081406
PhysRevB.77.155206 Gali, Adam; Fyta, Maria; Kaxiras, Efthimios (2008): \textit{Ab initio} supercell calculations on nitrogen-vacancy center in diamond: Electronic structure and hyperfine tensors. Phys. Rev. B , 77, 155206
PhysRevB.79.235210 Gali, Adam (2009): Theory of the neutral nitrogen-vacancy center in diamond and its application to the realization of a qubit. Phys. Rev. B , 79, 235210
PhysRevB.80.161411 V\"or\"os, M\'arton; Gali, Adam (2009): Optical absorption of diamond nanocrystals from ab initio density-functional calculations. Phys. Rev. B , 80, 161411
PhysRevB.80.241204 Gali, Adam (2009): Identification of individual $^{13}\text{C}$ isotopes of nitrogen-vacancy center in diamond by combining the polarization studies of nuclear spins and first-principles calculations. Phys. Rev. B , 80, 241204
PhysRevB.81.041204 Ma, Yuchen; Rohlfing, Michael; Gali, Adam (2010): Excited states of the negatively charged nitrogen-vacancy color center in diamond. Phys. Rev. B , 81, 041204
PhysRevB.87.155402 V\"or\"os, M\'arton; Rocca, Dario; Galli, Giulia; Zimanyi, Gergely T.; Gali, Adam (2013): Increasing impact ionization rates in Si nanoparticles through surface engineering: A density functional study. Phys. Rev. B , 87, 155402
PhysRevB.87.205201 Iv\'ady, Viktor; Abrikosov, I. A.; Janz\'en, E.; Gali, A. (2013): Role of screening in the density functional applied to transition-metal defects in semiconductors. Phys. Rev. B , 87, 205201
PhysRevB.88.075202 Sz\'asz, Kriszti\'an; Hornos, Tam\'as; Marsman, Martijn; Gali, Adam (2013): Hyperfine coupling of point defects in semiconductors by hybrid density functional calculations: The role of core spin polarization. Phys. Rev. B , 88, 075202
PhysRevB.90.035146 Iv\'ady, Viktor; Armiento, Rickard; Sz\'asz, Kriszti\'an; Janz\'en, Erik; Gali, Adam; Abrikosov, Igor A. (2014): Theoretical unification of hybrid-DFT and $\text{DFT} + U$ methods for the treatment of localized orbitals. Phys. Rev. B , 90, 035146
PhysRevB.90.165142 Coulter, John E.; Manousakis, Efstratios; Gali, Adam (2014): Optoelectronic excitations and photovoltaic effect in strongly correlated materials. Phys. Rev. B , 90, 165142
PhysRevB.90.235205 Iv\'ady, Viktor; Simon, Tam\'as; Maze, Jeronimo R.; Abrikosov, I. A.; Gali, Adam (2014): Pressure and temperature dependence of the zero-field splitting in the ground state of NV centers in diamond: A first-principles study. Phys. Rev. B , 90, 235205