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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
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
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
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/nl901970u Gali, Adam; Vörös, Márton; Rocca, Dario; Zimanyi, Gergely T.; Galli, Giulia (2009): High-Energy Excitations in Silicon Nanoparticles. Nano Letters , 9, 3780-3785
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
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
malone2014first Malone, Brad D.; Gali, Adam; Kaxiras, Efthimios (2014): First principles study of point defects in SnS. Phys. Chem. Chem. Phys. , 16, 26176-26183
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
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.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
PhysRevB.92.165203 Thiering, Gerg\H{o}; Gali, Adam (2015): Complexes of silicon, vacancy, and hydrogen in diamond: A density functional study. Phys. Rev. B , 92, 165203
PhysRevLett.108.267401 V\"or\"os, M\'arton; Demj\'en, Tam\'as; Szilv\'asi, Tibor; Gali, Adam (2012): Tuning the Optical Gap of Nanometer-Size Diamond Cages by Sulfurization: A Time-Dependent Density Functional Study. Phys. Rev. Lett. , 108, 267401
PhysRevLett.112.106801 Wippermann, Stefan; V\"or\"os, M\'arton; Gali, Adam; Gygi, Francois; Zimanyi, Gergely T.; Galli, Giulia (2014): Solar Nanocomposites with Complementary Charge Extraction Pathways for Electrons and Holes: Si Embedded in ZnS. Phys. Rev. Lett. , 112, 106801
somogyi2014computational Somogyi, Bálint; Gali, Adam (2014): Computational design of in vivo biomarkers. Journal of Physics: Condensed Matter , 26, 143202
Szabo2010 Szabó, Áron; Son, Ngyen Tien; Janzén, Erik; Gali, Adam (2010): Group-II acceptors in wurtzite AlN: A screened hybrid density functional study. Applied Physics Letters , 96, -
szekrenyes2014chemical Szekrényes, Zsolt; Somogyi, Bálint; Beke, Dávid; Károlyházy, Gyula; Balogh, István; Kamarás, Katalin; Gali, Adam (2014): Chemical Transformation of Carboxyl Groups on the Surface of Silicon Carbide Quantum Dots. The Journal of Physical Chemistry C , 118, 19995-20001
szilvasi2014fluorine Szilvási, Tibor; Gali, Adam (2014): Fluorine Modification of the Surface of Diamondoids: A Time-Dependent Density Functional Study. The Journal of Physical Chemistry C , 118, 4410-4415
Szucs2003 Szűcs, Bernadett; Gali, Adam; Hajnal, Zolt\'{a}n; De\'{a}k, Peter; {Van de Walle}, Chris (2003): Physics and chemistry of hydrogen in the vacancies of semiconductors. Physical Review B , 68, %pages%
thiering2014 Thiering, Gerg{\H{o}}; Londero, Elisa; Gali, Adam (2014): Single nickel-related defects in molecular-sized nanodiamonds for multicolor bioimaging: an ab initio study. Nanoscale , 6, 12018--12025
voros2010absorption Vörös, Márton; Deák, Péter; Frauenheim, Thomas; Gali, Adam (2010): The absorption spectrum of hydrogenated silicon carbide nanocrystals from ab initio calculations. Applied Physics Letters , 96, 051909
voros2010absorption_2 Vörös, Márton; Deák, Péter; Frauenheim, Thomas; Gali, Adam (2010): The absorption of oxygenated silicon carbide nanoparticles. The Journal of Chemical Physics , 133, 064705