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

Handle URI:
http://hdl.handle.net/10754/552755
Title:
Structure of Sn1−xGex random alloys as obtained from the coherent potential approximation
Authors:
Pulikkotil, J. J.; Chroneos, A.; Schwingenschlögl, Udo ( 0000-0003-4179-7231 )
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.
KAUST Department:
Physical Sciences and Engineering (PSE) Division
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
Issue Date:
9-Aug-2011
DOI:
10.1063/1.3618671
Type:
Article
ISSN:
00218979
Additional Links:
http://scitation.aip.org/content/aip/journal/jap/110/3/10.1063/1.3618671
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division

Full metadata record

DC FieldValue Language
dc.contributor.authorPulikkotil, J. J.en
dc.contributor.authorChroneos, A.en
dc.contributor.authorSchwingenschlögl, Udoen
dc.date.accessioned2015-05-14T07:04:17Zen
dc.date.available2015-05-14T07:04:17Zen
dc.date.issued2011-08-09en
dc.identifier.citationStructure of Sn1−xGex random alloys as obtained from the coherent potential approximation 2011, 110 (3):036105 Journal of Applied Physicsen
dc.identifier.issn00218979en
dc.identifier.doi10.1063/1.3618671en
dc.identifier.urihttp://hdl.handle.net/10754/552755en
dc.description.abstractThe 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.en
dc.publisherAIP Publishingen
dc.relation.urlhttp://scitation.aip.org/content/aip/journal/jap/110/3/10.1063/1.3618671en
dc.rightsArchived with thanks to Journal of Applied Physicsen
dc.titleStructure of Sn1−xGex random alloys as obtained from the coherent potential approximationen
dc.typeArticleen
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.identifier.journalJournal of Applied Physicsen
dc.eprint.versionPublisher's Version/PDFen
dc.contributor.institutionDepartment of Materials Science and Metallurgy, University of Cambridge, Cambridge CB2 3QZ, United Kingdomen
kaust.authorPulikkotil, Jiji Thomas Josephen
kaust.authorSchwingenschlögl, Udoen
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