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Si(96): A New Silicon Allotrope with Interesting Physical Properties

The structural mechanical properties and electronic properties of a new silicon allotrope Si(96) are investigated at ambient pressure by using a first-principles calculation method with the ultrasoft pseudopotential scheme in the framework of generalized gradient approximation. The elastic constants...

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Detalles Bibliográficos
Autores principales:	Fan, Qingyang, Chai, Changchun, Wei, Qun, Zhou, Peikun, Zhang, Junqin, Yang, Yintang
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2016
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5502977/ https://www.ncbi.nlm.nih.gov/pubmed/28773409 http://dx.doi.org/10.3390/ma9040284

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