Structure of Sn1−xGex random alloys as obtained from the coherent potential approximation
Type
ArticleKAUST Department
Computational Physics and Materials Science (CPMS)Material Science and Engineering Program
Physical Science and Engineering (PSE) Division
Date
2011-08-10Online Publication Date
2011-08-10Print Publication Date
2011-08Permanent link to this record
http://hdl.handle.net/10754/552755
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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.Citation
Structure of Sn1−xGex random alloys as obtained from the coherent potential approximation 2011, 110 (3):036105 Journal of Applied PhysicsPublisher
AIP PublishingJournal
Journal of Applied Physicsae974a485f413a2113503eed53cd6c53
10.1063/1.3618671