Theoretical Investigations of Si-Ge Alloys in P42/ncm Phase: First-Principles Calculations

Theoretical Investigations of Si-Ge Alloys in P42/ncm Phase: First-Principles Calculations

The structural, mechanical, anisotropic, electronic and thermal properties of Si, Si0.667Ge0.333, Si0.333Ge0.667 and Ge in P42/ncm phase are investigated in this work. The calculations have been performed with an ultra-soft pseudopotential by using the generalized gradient approximation and local de...

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Bibliographic Details
Main Authors: Zhenyang Ma, Xuhong Liu, Xinhai Yu, Chunlei Shi, Fang Yan
Format: Article
Language:English
Published: MDPI AG 2017-05-01
Series:Materials
Subjects:
Si-Ge alloys
mechanical properties
anisotropic properties
electronic properties
Online Access:http://www.mdpi.com/1996-1944/10/6/599

Internet

http://www.mdpi.com/1996-1944/10/6/599

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