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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2017
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Materias: | |
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 |