270 citations · 1.6k across the 39 of their papers we have counts for
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Temperature Effect on Charge-state Transition Levels of Defects in Semiconductors
Shuang Qiao, Yu-Ning Wu, Xiaolan Yan +3
Defects are crucial in determining the overall physical properties of semiconductors. Generally, the charge-state transition level (TEL), one of the key physical quantities that de…
Predicting Berborite as Potential Deep-Ultraviolet Nonlinear Optical Crystal from First Principles
Lei Kang, Pifu Gong, Zheshuai Lin +1
Following our ab initio nonlinear optical (NLO) materials design guidelines, in this Letter, we discovered a novel type of structure to realize potential deep-ultraviolet (DUV) NLO…
Atomistic Mechanism Underlying the Si(111)-(7\times7) Surface Reconstruction Revealed by Artificial Neural-network Potential
Lin Hu, Bing Huang, Feng Liu
The 7\times7 reconstruction of the Si(111) surface represents arguably the most fascinating surface reconstruction so far observed in nature. Yet, the atomistic mechanism underpinn…
Realization of Semiconducting Layered Multiferroic Heterojunctions via Asymmetrical Magnetoelectric Coupling
Baishun Yang, Bin Shao, Jianfeng Wang +3
Two-dimensional (2D) semiconducting multiferroics that can effectively couple magnetic and polarization (P) orders have great interest for both fundamental research and technologic…
Alloy Engineering of Polar (Si,Ge)2N2O System for Controllable Second Harmonic Performance
Lei Kang, Gang He, Xinyuan Zhang +3
Although silicon oxynitrides are important semiconductors for many practical applications, their potential second-order nonlinear optical (NLO) applications, regardless of balanced…
Giant Enhancement of Solid Solubility in Monolayer BNC Alloys by Selective Orbital Coupling
Shiqiao Du, Jianfeng Wang, Lei Kang +2
Solid solubility (SS) is one of the most important features of alloys, which is usually difficult to be largely tuned in the entire alloy concentrations by external approaches. Som…