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Theoretical Investigations of Si-Ge Alloys in P4(2)/ncm Phase: First-Principles Calculations

The structural, mechanical, anisotropic, electronic and thermal properties of Si, Si(0.667)Ge(0.333), Si(0.333)Ge(0.667) and Ge in P4(2)/ncm phase are investigated in this work. The calculations have been performed with an ultra-soft pseudopotential by using the generalized gradient approximation an...

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Detalles Bibliográficos
Autores principales:	Ma, Zhenyang, Liu, Xuhong, Yu, Xinhai, Shi, Chunlei, Yan, Fang
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2017
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5553416/ https://www.ncbi.nlm.nih.gov/pubmed/28772964 http://dx.doi.org/10.3390/ma10060599

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