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.

Topics
Ab-initio methods, Density functional theory, Electronic transport, Field effect transistors, Crystal lattices, Lattice dynamics, Metallurgy, Crystalline properties, Bulk modulus, Thermal effects
© 2011 American Institute of Physics.
2011
American Institute of Physics
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