MtPh

Statistical investigations on random configurations of the SiGe:C crystal with density functional theory

date
15.02.2019 
time
10:00 AM - 11:00 AM 
speaker
Willi Roscher 
affiliation
TU Chemnitz 
language
en 
main topic
Materials: Superconductors, Magnetic Materials, Nano Structures
subtopics
Physics: Condensed Matter (incl. Soft, Solid)
host
Grit Rötzer 
abstract

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The random alloy Si_(1-x)Ge_x is calculated by bulk models in the entire composition range 0 <= x <= 1. Therefor random configurations of the crystal are generated and calculated by density functional theory. The statistical evaluation show variations of the formation energy and the band gap. Furthermore the impact of substituted carbon in this properties is studied.
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Last update: 15.02.2019 00:09.

venue 

Leibniz Institut für Festkörper- und Werkstoffforschung Dresden (D2E.27, IFW Dresden) 
Helmholtzstraße 20
01069 Dresden
homepage
http://www.ifw-dresden.de 

organizer 

Leibniz Institut für Festkörper- und Werkstoffforschung Dresden (IFW)
Helmholtzstraße 20
01069 Dresden
homepage
http://www.ifw-dresden.de 
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