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cond-mat.mtrl-sci2018
Unified theory of the direct or indirect bandgap nature of conventional semiconductors
Lin-Ding Yuan, Hui-Xiong Deng, Shu-Shen Li +2
Although the direct or indirect nature of the bandgap transition is an essential parameter of semiconductors for optoelectronic applications, the understanding why some of the conv…
cond-mat.mtrl-sci2018
Calculations of point defects in the layered MX2 (M=Mo, W; X=S, Te): Substitution by the groups III, V and VII elements
Dan Guo, Kaike Yang, Tao Shen +5
Dopability in semiconductors plays a crucial role in device performance. Using the first-principles density-functional theory calculations, we investigate systematically the doping…