湖北汽车工业学院学报Issue(3)：64-67,4.DOI:10.3969/j.issn.1008-5483.2014.03.014
半导体Si和GaAs的GW近似能带结构与BSE吸收光谱的研究
Electronic Structure and Optical Absorption of Si and GaAs by GW Aproximation and BSE Calculation
摘要
Abstract
Based on the density function theory(DFT),the band structures of semiconductors Si and GaAs were calculated by the Perdew-Burke-Ernzerhof(PBE)function and corrected by the GW method of quasi-particle approximation,using the full-potential projected augmented wave(PAW)method. Then,the optical absorptions of Si and GaAs were presented by DFT and corrected by the BetheSal-peter equation(BSE)of many-body perturbation theory. The calculations indicate that the band gaps obtained by the GW method conform to the experimental values better than DFT results,and the elec-tron-hole interaction significantly affects the optical absorption of Si and GaAs. The BSE results show that the excitonic effect is important in the research on the optical absorption of semiconductor.关键词
密度泛函理论/GW近似/BSE方程/激子效应Key words
density function theory(DFT)/GW approximation/BSE/excitonic effect分类
数理科学引用本文复制引用
杨俊涛,罗时军,黄海铭,熊永臣..半导体Si和GaAs的GW近似能带结构与BSE吸收光谱的研究[J].湖北汽车工业学院学报,2014,(3):64-67,4.基金项目
湖北汽车工业学院青年科研基金 （）
