Structure of Sn12xGex random alloys as obtained from the coherent potential approximation
نویسندگان
چکیده
The structure of the Sn1 xGex random alloys is studied using density functional theory and the coherent potential approximation. We report on the deviation of the Sn1 xGex alloys from Vegard’s law, addressing their full compositional range. The findings are compared to the related Si1 xGex alloys and to experimental results. Interestingly, the deviation from Vegard’s law is quantitatively and qualitatively different between the Sn1 xGex and Si1 xGex alloys. An almost linear dependence of the bulk modulus as a function of composition is found for Si1 xGex, whereas for Sn1 xGex the dependence is strongly nonlinear. VC 2011 American Institute of Physics. [doi:10.1063/1.3618671]
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