To define nonradiative defects in semiconductors: An accurate DLTS simulation based on first-principle

Xiaodong Xu,Xueqiang Yu,Jianqun Yang,Tao Ying,Xiuhai Cui,Yuhang Jing,Gang Lv,Zhongli Liu,Weiqi Li,Xingji Li

Computational Materials Science（2022）

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摘要

•The reliability of DLTS simulation is confirmed by the nonlocal hybrid functional.•The electron–phonon coupling is included to describe the hot carrier nonradiative capture in the DLTS simulation.•The DLTS simulation is verified by the radiation experiments.

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关键词

Radiation-induced defects,Deep-level transient spectroscopy,Carrier nonradiative transition,Density functional theory

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