Pulikkotil, J. J.; Chroneos, A. and Schwingenschlögl, U.
(2011).
Structure of Sn1-xGex random alloys as obtained from the coherent potential approximation.
Journal of Applied Physics, 110(3)
Full text available as:
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.
| Item Type: |
Journal Article
|
| Copyright Holders: |
2011 American Institute of Physics. |
| ISSN: |
1089-7550 |
| Extra Information: |
This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. |
| Keywords: |
CPA calculations; density functional theory; elastic moduli; energy gap; germanium alloys; ground states; lattice constants; semiconductor materials; tin alloys
|
| Academic Unit/Department: |
Mathematics, Computing and Technology > Design, Development, Environment and Materials |
| Item ID: |
35229 |
| Depositing User: |
Alexander Chroneos
|
| Date Deposited: |
09 Nov 2012 09:10 |
| Last Modified: |
29 Apr 2013 13:46 |
| URI: |
http://oro.open.ac.uk/id/eprint/35229 |
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