Stephan Lany is a computational materials scientist with a background in electronic structure calculations for semiconducting materials. He joined NREL in 2003 as a postdoctoral researcher. As a staff scientist, he is currently leading computational research activities in support of the Energy Frontier Research Center and the Solar Energy Technology Program. 

Research Interests

His research interests include prediction of band-structure, optical, electrical, and transport properties from electronic structure theory; photovoltaic and thermoelectric materials, and transparent conducting oxides; defects, doping, and alloying in semiconductor materials; and computational materials design and discovery.


Ph.D. Physics, Universität des Saarlandes, Germany

Featured Work

"Defect Tolerant Semiconductors for Solar Energy Conversion", A. Zakutayev, C.M. Caskey, A.N. Fioretti, D.S. Ginley, J. Vidal, V. Stevanovic, E. Tea, and S. Lany, J. Phys. Chem. Lett. 5, 1117 (2014).

"Evaluation of photovoltaic materials within the Cu-Sn-S family", P. Zawadzki, L.L. Baranowski, H. Peng, E.S. Toberer, D.S. Ginley, W. Tumas, A. Zakutayev, S. Lany, Appl. Phys. Lett. 103, 253902 (2013).

"Convergence of density and hybrid functional defect calculations for compound semiconductors", H. Peng, D.O. Scanlon, V. Stevanovic, J. Vidal, G.W. Watson, S. Lany, Phys. Rev. B 88, 115201 (2013).

"Band-structure calculations for the 3d transition metal oxides in GW", S. Lany, Phys. Rev. B 87, 085112 (2013).

"Semiconducting transition metal oxides based on d5 cations: Theory for MnO and Fe2O3", H. Peng, S. Lany, Phys. Rev. B 85, 201202(R) (2012).

"Polaronic hole localization and multiple hole binding of acceptors in oxide wide-gap semiconductors", S. Lany, A. Zunger, Phys. Rev. B 80, 085202 (2009).

"Semiconductor thermochemistry in density functional calculations", S. Lany, Phys. Rev. B 78, 245207 (2008).

"Charge self-regulation upon changing the oxidation state of transition metals in insulators", H. Raebiger, S. Lany, A. Zunger, Nature 453, 763 (2008).

"Dopability, Intrinsic Conductivity, and Nonstoichiometry of Transparent Conducting Oxides", S. Lany, A. Zunger, Phys. Rev. Lett. 98, 045501 (2007).

"Light- and bias induced metastabilities in Cu(In,Ga)Se2 based solar cells caused by the (VSe-VCu) vacancy complex", S. Lany, A. Zunger, J. Appl. Phys. 100, 113725 (2006).

NREL Publications

View NREL publications for Stephan Lany.