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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 |
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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 $P_{\rm b0}$ and $P_{\rm b1}$ in amorphous-SiO$_2$/Si(100) interface. It is found that the geometrical shapes of $P_{\rm b0}$ and $P_{\rm b1}$ 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 $P_{\rm b0}$ and $P_{\rm b1}$ 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 $P_{\rm b0}$ and $P_{\rm b1}$ defects are the dominant non-radiative recombination centers in the interface of a-SiO$_2$/Si(100).
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Received: 20 August 2022
Revised: 01 November 2022
Accepted manuscript online: 03 November 2022
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PACS:
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73.50.Gr
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(Charge carriers: generation, recombination, lifetime, trapping, mean free paths)
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| 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). |
Corresponding Authors:
Xu Zuo
E-mail: xzuo@nankai.edu.cn
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Cite this article:
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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