Journal of Jilin University Science Edition ›› 2019, Vol. 57 ›› Issue (3): 658-663.
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YANG Xiaocui, LI Wei, MA Hongyuan, YU Zhuo, XIAO Junping
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Abstract: The electronic, mechanical and optical properties of Si8-xGex alloys were investigated by using firstprinciples 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 quasilinearly 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, firstprinciples calculation
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YANG Xiaocui, LI Wei, MA Hongyuan, YU Zhuo, XIAO Junping. FirstPrinciples Calculation of Electronic, Mechanical and Optical Properties of Si8-xGex Alloys#br#[J].Journal of Jilin University Science Edition, 2019, 57(3): 658-663.
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http://xuebao.jlu.edu.cn/lxb/EN/Y2019/V57/I3/658
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