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Stephan Lany
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Assessment of correction methods for the band-gap problem and for finite-size effects in supercell defect calculations: Case studies for ZnO and GaAs
S Lany, A Zunger
Physical Review B—Condensed Matter and Materials Physics 78 (23), 235104, 2008
14272008
Dopability, intrinsic conductivity, and nonstoichiometry of transparent conducting oxides
S Lany, A Zunger
Physical Review Letters 98 (4), 045501, 2007
13902007
Anion vacancies as a source of persistent photoconductivity in II-VI and chalcopyrite semiconductors
S Lany, A Zunger
Physical Review B—Condensed Matter and Materials Physics 72 (3), 035215, 2005
7232005
Correcting density functional theory for accurate predictions of compound enthalpies of formation: Fitted elemental-phase reference energies
V Stevanović, S Lany, X Zhang, A Zunger
Physical Review B—Condensed Matter and Materials Physics 85 (11), 115104, 2012
6342012
Origins of the -type nature and cation deficiency in and related materials
H Raebiger, S Lany, A Zunger
Physical Review B—Condensed Matter and Materials Physics 76 (4), 045209, 2007
6332007
-type doping of and
C Persson, YJ Zhao, S Lany, A Zunger
Physical Review B—Condensed Matter and Materials Physics 72 (3), 035211, 2005
5982005
Band-structure, optical properties, and defect physics of the photovoltaic semiconductor SnS
J Vidal, S Lany, M d’Avezac, A Zunger, A Zakutayev, J Francis, J Tate
Applied Physics Letters 100 (3), 2012
4972012
Accurate prediction of defect properties in density functional supercell calculations
S Lany, A Zunger
Modelling and simulation in materials science and engineering 17 (8), 084002, 2009
4652009
Polaronic hole localization and multiple hole binding of acceptors in oxide wide-gap semiconductors
S Lany, A Zunger
Physical Review B—Condensed Matter and Materials Physics 80 (8), 085202, 2009
4502009
Light-and bias-induced metastabilities in Cu (In, Ga) Se2 based solar cells caused by the (VSe-VCu) vacancy complex
S Lany, A Zunger
Journal of Applied Physics 100 (11), 2006
4282006
A map of the inorganic ternary metal nitrides
W Sun, CJ Bartel, E Arca, SR Bauers, B Matthews, B Orvañanos, ...
Nature materials 18 (7), 732-739, 2019
4112019
Defect tolerant semiconductors for solar energy conversion
A Zakutayev, CM Caskey, AN Fioretti, DS Ginley, J Vidal, V Stevanovic, ...
The journal of physical chemistry letters 5 (7), 1117-1125, 2014
4062014
Magnetism without Magnetic Ions: Percolation, Exchange, and Formation Energies<? format?> of Magnetism-Promoting Intrinsic Defects in CaO
J Osorio-Guillén, S Lany, SV Barabash, A Zunger
Physical review letters 96 (10), 107203, 2006
3822006
Electronic structures of , and CuO: A joint experimental and theoretical study
Y Wang, S Lany, J Ghanbaja, Y Fagot-Revurat, YP Chen, F Soldera, ...
Physical Review B 94 (24), 245418, 2016
3792016
The 2019 materials by design roadmap
K Alberi, MB Nardelli, A Zakutayev, L Mitas, S Curtarolo, A Jain, M Fornari, ...
Journal of Physics D: Applied Physics 52 (1), 013001, 2018
3512018
The electronic structure of chalcopyrites—bands, point defects and grain boundaries
S Siebentritt, M Igalson, C Persson, S Lany
Progress in Photovoltaics: Research and Applications 18 (6), 390-410, 2010
3332010
Charge self-regulation upon changing the oxidation state of transition metals in insulators
H Raebiger, S Lany, A Zunger
Nature 453 (7196), 763-766, 2008
3062008
Origins of the doping asymmetry in oxides: Hole doping in NiO versus electron doping in ZnO
S Lany, J Osorio-Guillén, A Zunger
Physical Review B—Condensed Matter and Materials Physics 75 (24), 241203, 2007
3002007
Intrinsic defects in ZnO calculated by screened exchange and hybrid density functionals
SJ Clark, J Robertson, S Lany, A Zunger
Physical Review B—Condensed Matter and Materials Physics 81 (11), 115311, 2010
2952010
Semiconducting transition metal oxides
S Lany
Journal of Physics: Condensed Matter 27 (28), 283203, 2015
2912015
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