| 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 | 1398 | 2008 |
| Dopability, intrinsic conductivity, and nonstoichiometry of transparent conducting oxides S Lany, A Zunger Physical Review Letters 98 (4), 045501, 2007 | 1382 | 2007 |
| 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 | 711 | 2005 |
| 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 | 625 | 2007 |
| 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 | 608 | 2012 |
| -type doping of and C Persson, YJ Zhao, S Lany, A Zunger Physical Review B—Condensed Matter and Materials Physics 72 (3), 035211, 2005 | 593 | 2005 |
| 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 | 482 | 2012 |
| 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 | 454 | 2009 |
| 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 | 442 | 2009 |
| 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 | 418 | 2006 |
| 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 | 395 | 2014 |
| 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 | 380 | 2006 |
| 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 | 372 | 2019 |
| 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 | 361 | 2016 |
| 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 | 338 | 2018 |
| 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 | 328 | 2010 |
| 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 | 300 | 2008 |
| 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 | 292 | 2010 |
| 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 | 292 | 2007 |
| Assessing capability of semiconductors to split water using ionization potentials and electron affinities only V Stevanović, S Lany, DS Ginley, W Tumas, A Zunger Physical Chemistry Chemical Physics 16 (8), 3706-3714, 2014 | 281 | 2014 |
Alex ZungerUniversity of Colorado ,Boulder,Colorado.Renewable and Sustainable Energy InstituteVerified email at colorado.edu
