First-principles study of non-radiative carrier capture by defects at amorphous-SiO_(2)/Si(100)interface  

作　　者：祝浩然 谢伟锋 刘欣 刘杨 张金利 左旭 Haoran Zhu;Weifeng Xie;Xin Liu;Yang Liu;Jinli Zhang;Xu Zuo(College of Electronic Information and Optical Engineering,Nankai University,Tianjin 300350,China;Institute of Electronic Engineering,China Academy of Engineering Physics,Mianyang 621999,China;Microsystem and Terahertz Research Center,China Academy of Engineering Physics,Chengdu 610200,China;Key Laboratory of Photoelectronic Thin Film Devices and Technology of Tianjin,Nankai University,Tianjin 300350,China;Engineering Research Center of Thin Film Optoelectronics Technology,Ministry of Education,Nankai University,Tianjin 300350,China)

机构地区：[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

出　　处：《Chinese Physics B》2023年第7期504-509,共6页中国物理B（英文版）

基　　金：Project supported by the Science Challenge Project(Grant No.TZ2016003-1-105);Tianjin Natural Science Fundation(Grant No.20JCZDJC00750);the Fundamental Research Funds for the Central Universities,Nankai University(Grant Nos.63211107 and 63201182).

摘　　要：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_(b0) and P_(b1) in amorphous-SiO_(2)/Si(100)interface.It is found that the geometrical shapes of P_(b0) and P_(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_(b0) and P_(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_(b0) and P_(b1) defects are the dominant non-radiative recombination centers in the interface of a-SiO_(2)/Si(100).

关 键 词：interface defect carrier capture coefficients 

分 类 号：O469[理学—凝聚态物理]