633 citations · 2.3k across the 23 of their papers we have counts for
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The mechanism of the irradiation synergistic effect of Silicon bipolar junction transistors explained by multiscale simulations of Monte Carlo and excited-state first-principle calculations
Zeng-hui Yang, Yang Liu, Ning An +1
Neutron and -ray irradiation damages to transistors are found to be non-additive, and this is denoted as the irradiation synergistic effect (ISE). Its mechanism is not well-unde…
Understanding Band Gaps of Solids in Generalized Kohn-Sham Theory
John P. Perdew, Weitao Yang, Kieron Burke +11
The fundamental energy gap of a periodic solid distinguishes insulators from metals and characterizes low-energy single-electron excitations. But the gap in the band-structure of t…
More-Realistic Band Gaps from Meta-Generalized Gradient Approximations: Only in a Generalized Kohn-Sham Scheme
Zeng-hui Yang, Haowei Peng, Jianwei Sun +1
Unlike the local density approximation (LDA) and the generalized gradient approximation (GGA), calculations with meta-generalized gradient approximations (meta-GGA) are usually don…
SCAN: An Efficient Density Functional Yielding Accurate Structures and Energies of Diversely-Bonded Materials
Jianwei Sun, Richard C. Remsing, Yubo Zhang +9
Kohn-Sham density functional theory (DFT) is a widely-used electronic structure theory for materials as well as molecules. DFT is needed especially for large systems, ab initio mol…
SCAN+rVV10: A promising van der Waals density functional
Haowei Peng, Zeng-Hui Yang, Jianwei Sun +1
The newly developed "strongly constrained and appropriately normed" (SCAN) meta-generalized-gradient approximation (meta-GGA) can generally improve over the non-empirical Perdew-Bu…
A simple screened exact-exchange approach for excitonic properties in solids
Zeng-hui Yang, Francesco Sottile, Carsten A. Ullrich
We present a screened exact-exchange (SXX) method for the efficient and accurate calculation of the optical properties of solids, where the screening is achieved through the zero-w…