First-principles study of non-radiative carrier capture by defects at amorphous-SiO2/Si(100) interface
Haoran Zhu(祝浩然)1, Weifeng Xie(谢伟锋)1, Xin Liu(刘欣)1, Yang Liu(刘杨)2,3, Jinli Zhang(张金利)1, and Xu Zuo(左旭)1,4,5,†
1 College of Electronic Information and Optical Engineering, Nankai University, Tianjin 300350, China; 2 Institute of Electronic Engineering, China Academy of Engineering Physics, Mianyang 621999, China; 3 Microsystem and Terahertz Research Center, China Academy of Engineering Physics, Chengdu 610200, China; 4 Key Laboratory of Photoelectronic Thin Film Devices and Technology of Tianjin, Nankai University, Tianjin 300350, China; 5 Engineering Research Center of Thin Film Optoelectronics Technology, Ministry of Education, Nankai University, Tianjin 300350, China
Abstract Defects have a significant impact on the performance of semiconductor devices. Using the first-principles combined with one-dimensional static coupling theory approach, we have calculated the variation of carrier capture coefficients with temperature for the interfacial defects and in amorphous-SiO/Si(100) interface. It is found that the geometrical shapes of and defects undergo large deformations after capturing carriers to form charged defects, especially for the Si atoms containing a dangling bond. The hole capture coefficients of neutral and defects are largest than the other capture coefficients, indicating that these defects have a higher probability of forming positively charged centres. Meanwhile, the calculated results of non-radiative recombination coefficient of these defects show that both and defects are the dominant non-radiative recombination centers in the interface of a-SiO/Si(100).
Received: 20 August 2022
Revised: 01 November 2022
Accepted manuscript online: 03 November 2022
PACS:
73.50.Gr
(Charge carriers: generation, recombination, lifetime, trapping, mean free paths)
Fund: Project supported by the Science Challenge Project (Grant No. TZ2016003-1-105), Tianjin Natural Science Fundation (Grant No. 20JCZDJC00750), and the Fundamental Research Funds for the Central Universities, Nankai University (Grant Nos. 63211107 and 63201182).
Haoran Zhu(祝浩然), Weifeng Xie(谢伟锋), Xin Liu(刘欣), Yang Liu(刘杨), Jinli Zhang(张金利), and Xu Zuo(左旭) First-principles study of non-radiative carrier capture by defects at amorphous-SiO2/Si(100) interface 2023 Chin. Phys. B 32 077303
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Interface of quasicrystal and crystal Fan Tian-You(范天佑), Xie Ling-Yun(解凌云), Fan Lei(范蕾), and Wang Qing-Zhao(王清昭). Chin. Phys. B, 2011, 20(7): 076102.
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