Si掺杂对Ga_(2)O_(3)/BP异质结光电性能调控的第一性原理研究  

First-principles study on the effect of Si doping on the optoelectronic properties of Ga_(2)O_(3)/BP heterojunctions

作　　者：李佳宏 郝增瑞 薛瑞鑫 阚红梅[1] 关玉琴[1] LI Jia-Hong;HAO Zeng-Rui;XUE Rui-Xin;KAN Hong-Mei;GUAN Yu-Qin(College of Science,Inner Mongolia University of Technology,Hohhot 010010,China)

机构地区：[1]内蒙古工业大学理学院,呼和浩特010010

出　　处：《原子与分子物理学报》2025年第4期131-137,共7页Journal of Atomic and Molecular Physics

基　　金：内蒙古自治区自然科学基金(2023LHMS01004);内蒙古自治区教育厅自然科学项目(NJZY22376);内蒙古工业大学教学改革项目(2022241)。

摘　　要：近年来,氧化镓(Ga_(2)O_(3))是新一代超宽禁带(4.9 eV)半导体,基于优越的热稳定和化学稳定性、高击穿场强和可见光透过率等优点,在日盲紫外探测器和透明光电器件领域中引起了广泛的关注.但是,Ga_(2)O_(3)基光电器件存在迁移率较低而限制其应用的现象,而构建合适的Ga_(2)O_(3)异质结是改善光电探测器的光电性能的有效手段之一.基于第一性原理构建β-Ga_(2)O_(3)/BP异质结模型,研究了氧空位(Vo)和Si掺杂对β-Ga_(2)O_(3)/BP异质结光电性质的调控以及相关机理.结果显示:β-Ga_(2)O_(3)/BP异质结结构有效降低β-Ga_(2)O_(3)功函数,提高灵敏度,Si掺杂降低结合能,增强稳定性;β-Ga_(2)O_(3)/BP异质结有效减小带隙,Si掺杂以及氧空位的存在,进一步减小带隙,增强光导电性,并且Si掺杂引起了光电导各向异性.此结果对改善Ga_(2)O_(3)基异质结光电性能提供理论参考.In recent years,gallium oxide(Ga_(2)O_(3))is a new generation of ultra wide bandgap(4.9 eV)semiconductor,which has attracted widespread attention in the fields of solar blind ultraviolet detectors and transparent optoelectronic devices due to its superior thermal and chemical stability,high breakdown field strength,and visible light transmittance.However,there is a phenomenon of low mobility in Ga_(2)O_(3) based optoelectronic devices,which limits their application.However,constructing suitable Ga_(2)O_(3) heterojunctions is one of the effective means to improve the photoelectric performance of photodetectors.A β-Ga_(2)O_(3)/BP heterojunction model was constructed based on first principles,and the regulation of its photoelectric properties and related mechanisms by oxygen vacancy(Vo)and Si doping were studied.The results show that the β-Ga_(2)O_(3)/BP heterojunction structure effectively reduces the β-Ga_(2)O_(3) work function and increases sensitivity,Si doping reduces binding energy and enhances stability.The β-Ga_(2)O_(3)/BP heterojunction effectively reduces the bandgap,while Si doping and oxygen vacancies further reduce its bandgap and enhance its photoconductivity.And Si doping causes anisotropy in photoconductivity.This result provides a theoretical reference for improving the photoelectric performance of Ga_(2)O_(3) based heterojunctions.

关 键 词：β-Ga_(2)O_(3)/BP异质结 缺陷 光电性质 第一性原理 

分 类 号：O472[理学—半导体物理]