Journal of Jilin University Science Edition ›› 2019, Vol. 57 ›› Issue (3): 658-663.

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FirstPrinciples Calculation of Electronic, Mechanical and Optical Properties of Si8-xGex Alloys#br#

YANG Xiaocui, LI Wei, MA Hongyuan, YU Zhuo, XIAO Junping   

  1. College of Physics and Electronic Information, Baicheng Normal University, Baicheng 137000, Jilin Province, China
  • Received:2018-04-08 Online:2019-05-26 Published:2019-05-20
  • Contact: YANG Xiaocui E-mail:yxc0622@163.com

Abstract: 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-xGex alloy are similar, the elastic coefficient, bulk modulus 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.

Key words: Si8-xGex alloy, electronic property, optical property, firstprinciples calculation

CLC Number: 

  • O482.1