TY - JOUR
T1 - Structure of Sn1−xGex random alloys as obtained from the coherent potential approximation
AU - Pulikkotil, Jiji Thomas Joseph
AU - Chroneos, A.
AU - Schwingenschlögl, Udo
N1 - KAUST Repository Item: Exported on 2020-10-01
PY - 2011/8/10
Y1 - 2011/8/10
N2 - 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.
AB - 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.
UR - http://hdl.handle.net/10754/552755
UR - http://scitation.aip.org/content/aip/journal/jap/110/3/10.1063/1.3618671
UR - http://www.scopus.com/inward/record.url?scp=80051920751&partnerID=8YFLogxK
U2 - 10.1063/1.3618671
DO - 10.1063/1.3618671
M3 - Article
SN - 0021-8979
VL - 110
SP - 036105
JO - Journal of Applied Physics
JF - Journal of Applied Physics
IS - 3
ER -