摘要
采用基于密度泛函理论的第一性原理计算方法,研究Si_(8-x)Ge_x合金的电子、力学和光学性质.计算结果表明:Si_(8-x)Ge_x合金的能带结构相似;弹性系数、体模量和剪切模量均随x的增大呈减小趋势;静态介电常数、折射率和反射系数均随x的增大呈准线性增加趋势;等离子体振荡频率随x的增大呈减小趋势.
The electronic, mechanical and optical properties of Si8-xGex alloys were investigated by using first-principles calculation method based on density functional theory. The calculation results show that the structures of energy bands of Si8-x Gex alloy are similar, the elastic coefficient, bulk mo dulus and shear modulus decrease with the increase of x , the static dielectric constants, refractive index and reflection coefficient increase quasi-linearly with the increase of x , and the plasma oscillation frequency decreases with the increase of x .
作者
杨晓翠
李伟
马宏源
于卓
肖俊平
YANG Xiaocui;LI Wei;MA Hongyuan;YU Zhuo;XIAO Junping(College of Physics and Electronic Information,Baicheng Normal University,Baicheng 137000,Jilin Province,China)
出处
《吉林大学学报（理学版）》
CAS
北大核心
2019年第3期658-662,共5页
Journal of Jilin University:Science Edition
基金
吉林省教育厅"十三五"科学技术研究项目(批准号:吉教科合字[2016]第35号)
