Haowei Peng
Haowei Peng
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Cited by
Cited by
Origin and enhancement of hole-induced ferromagnetism in first-row d0 semiconductors
H Peng, HJ Xiang, SH Wei, SS Li, JB Xia, J Li
Physical Review Letters 102 (1), 017201, 2009
Accurate first-principles structures and energies of diversely bonded systems from an efficient density functional
J Sun, RC Remsing, Y Zhang, Z Sun, A Ruzsinszky, H Peng, Z Yang, ...
Nature chemistry 8 (9), 831, 2016
Versatile van der Waals Density Functional Based on a Meta-Generalized Gradient Approximation
H Peng, ZH Yang, JP Perdew, J Sun
Physical Review X 6 (4), 041005, 2016
Understanding band gaps of solids in generalized Kohn–Sham theory
JP Perdew, W Yang, K Burke, Z Yang, EKU Gross, M Scheffler, ...
Proceedings of the National Academy of Sciences 114 (11), 2801-2806, 2017
Possible origin of ferromagnetism in undoped anatase TiO2
H Peng, J Li, SS Li, JB Xia
Physical Review B 79 (9), 092411, 2009
Energetics of MnO2 polymorphs in density functional theory
DA Kitchaev, H Peng, Y Liu, J Sun, JP Perdew, G Ceder
Physical Review B 93 (4), 045132, 2016
Evaluation of photovoltaic materials within the Cu-Sn-S family
P Zawadzki, LL Baranowski, H Peng, ES Toberer, DS Ginley, W Tumas, ...
Applied Physics Letters 103 (25), 253902, 2013
First-principles study of the electronic structures and magnetic properties of 3d transition metal-doped anatase TiO2
H Peng, J Li, SS Li, JB Xia
Journal of Physics: Condensed Matter 20 (12), 125207, 2008
More realistic band gaps from meta-generalized gradient approximations: Only in a generalized Kohn-Sham scheme
Z Yang, H Peng, J Sun, JP Perdew
Physical Review B 93 (20), 205205, 2016
Convergence of density and hybrid functional defect calculations for compound semiconductors
H Peng, DO Scanlon, V Stevanovic, J Vidal, GW Watson, S Lany
Physical Review B 88 (11), 115201, 2013
Efficient first-principles prediction of solid stability: Towards chemical accuracy
Y Zhang, DA Kitchaev, J Yang, T Chen, ST Dacek, RA Sarmiento-Pérez, ...
Npj Computational Materials 4 (1), 1-6, 2018
Influence of ZnS and MgO shell on the photoluminescence properties of ZnO core/shell nanowires
XQ Meng, H Peng, YQ Gai, J Li
The Journal of Physical Chemistry C 114 (3), 1467-1471, 2010
First-principles study of native defects in rutile TiO2
H Peng
Physics Letters A 372 (9), 1527-1530, 2008
A computational framework for automation of point defect calculations
A Goyal, P Gorai, H Peng, S Lany, V Stevanović
Computational Materials Science 130, 1-9, 2017
Semiconducting transition-metal oxides based on d5 cations: Theory for MnO and Fe2O3
H Peng, S Lany
Physical Review B 85 (20), 201202(R), 2012
Band crossing in isovalent semiconductor alloys with large size mismatch: First-principles calculations of the electronic structure of Bi and N incorporated GaAs
HX Deng, J Li, SS Li, H Peng, JB Xia, LW Wang, SH Wei
Physical Review B 82 (19), 193204, 2010
Quantum confinement and electronic properties of rutile TiO2 nanowires
H Peng, J Li
The Journal of Physical Chemistry C 112 (51), 20241-20245, 2008
Li‐Doped Cr2MnO4: A New p‐Type Transparent Conducting Oxide by Computational Materials Design
H Peng, A Zakutayev, S Lany, TR Paudel, M d'Avezac, PF Ndione, ...
Advanced Functional Materials 23 (42), 5267-5276, 2013
Electronic structure and transport properties of doped PbSe
H Peng, JH Song, MG Kanatzidis, AJ Freeman
Physical Review B 84 (12), 125207, 2011
Design of Semiconducting Tetrahedral Mn1−xZnxO Alloys and Their Application to Solar Water Splitting
H Peng, PF Ndione, DS Ginley, A Zakutayev, S Lany
Physical Review X 5 (2), 021016, 2015
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