Dopability, intrinsic conductivity, and nonstoichiometry of transparent conducting oxides S Lany, A Zunger Physical Review Letters 98 (4), 045501, 2007 | 1370 | 2007 |
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 78 (23), 235104, 2008 | 1358 | 2008 |
Anion vacancies as a source of persistent photoconductivity in II-VI and chalcopyrite semiconductors S Lany, A Zunger Physical Review B 72 (3), 035215, 2005 | 694 | 2005 |
Origins of the p-type nature and cation deficiency in Cu 2 O and related materials H Raebiger, S Lany, A Zunger Physical Review B 76 (4), 045209, 2007 | 621 | 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 85 (11), 115104, 2012 | 589 | 2012 |
n-type doping of CuIn Se 2 and CuGa Se 2 C Persson, YJ Zhao, S Lany, A Zunger Physical Review B 72 (3), 035211, 2005 | 579 | 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 | 470 | 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 | 445 | 2009 |
Polaronic hole localization and multiple hole binding of acceptors in oxide wide-gap semiconductors S Lany, A Zunger Physical Review B 80 (8), 085202, 2009 | 438 | 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 | 406 | 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 | 377 | 2014 |
Magnetism without magnetic ions: percolation, exchange, and formation energies of magnetism-promoting intrinsic defects in CaO J Osorio-Guillén, S Lany, SV Barabash, A Zunger Physical review letters 96 (10), 107203, 2006 | 377 | 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 | 347 | 2019 |
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 | 325 | 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 | 322 | 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 | 293 | 2008 |
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 | 289 | 2016 |
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 75 (24), 241203, 2007 | 289 | 2007 |
Intrinsic defects in ZnO calculated by screened exchange and hybrid density functionals SJ Clark, J Robertson, S Lany, A Zunger Physical Review B 81 (11), 115311, 2010 | 287 | 2010 |
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 | 276 | 2014 |