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    Structure of Sn1−xGex random alloys as obtained from the coherent potential approximation

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    Type
    Article
    Authors
    Pulikkotil, Jiji Thomas Joseph
    Chroneos, A.
    Schwingenschlögl, Udo cc
    KAUST Department
    Computational Physics and Materials Science (CPMS)
    Material Science and Engineering Program
    Physical Science and Engineering (PSE) Division
    Date
    2011-08-10
    Online Publication Date
    2011-08-10
    Print Publication Date
    2011-08
    Permanent link to this record
    http://hdl.handle.net/10754/552755
    
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    Abstract
    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 Physics
    Publisher
    AIP Publishing
    Journal
    Journal of Applied Physics
    DOI
    10.1063/1.3618671
    Additional Links
    http://scitation.aip.org/content/aip/journal/jap/110/3/10.1063/1.3618671
    ae974a485f413a2113503eed53cd6c53
    10.1063/1.3618671
    Scopus Count
    Collections
    Articles; Physical Science and Engineering (PSE) Division; Material Science and Engineering Program; Computational Physics and Materials Science (CPMS)

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