633 citations · 2.1k across the 10 of their papers we have counts for
10 papers
Minute-cadence Observations of the LAMOST Fields with the TMTS: III. Statistic Study of the Flare Stars from the First Two Years
Qichun Liu, Jie Lin, Xiaofeng Wang +22
Tsinghua University-Ma Huateng Telescopes for Survey (TMTS) aims to detect fast-evolving transients in the Universe, which has led to the discovery of thousands of short-period var…
Giant Gating Tunability of Optical Refractive Index in Transition Metal Dichalcogenide Monolayers
Yiling Yu, Yifei Yu, Lujun Huang +3
We report that the refractive index of transition metal dichacolgenide (TMDC) monolayers, such as MoS2, WS2, and WSe2, can be substantially tuned by > 60% in the imaginary part and…
Rehabilitation of PBE-GGA for Layered Materials
Haowei Peng, John P. Perdew
The structural and energetic properties of layered materials propose a challenge to density functional theory with common semilocal approximations to the exchange-correlation. By c…
A Computational Framework for Automation of Point Defect Calculations
Anuj Goyal, Prashun Gorai, Haowei Peng +2
A complete and rigorously validated open-source Python framework to automate point defect calculations using density functional theory has been developed. The framework provides an…
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…
Near-locality of exchange and correlation density functionals for 1- and 2-electron systems
Jianwei Sun, John P. Perdew, Zenghui Yang +1
The uniform electron gas and the hydrogen atom play fundamental roles in condensed matter physics and quantum chemistry. The former has an infinite number of electrons uniformly di…
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…
Pathway to oxide photovoltaics via band-structure engineering of SnO
Haowei Peng, Andre Bikowski, Andriy Zakutayev +1
The prospects of scaling current photovoltaic technologies to terawatt levels remain uncertain. All-oxide photovoltaics could open rapidly scalable manufacturing routes, if only ox…