Si96: A New Silicon Allotrope with Interesting Physical Properties

Si96: A New Silicon Allotrope with Interesting Physical Properties

The structural mechanical properties and electronic properties of a new silicon allotrope Si96 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 a...

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Bibliographic Details
Main Authors: Qingyang Fan, Changchun Chai, Qun Wei, Peikun Zhou, Junqin Zhang, Yintang Yang
Format: Article
Language:English
Published: MDPI AG 2016-04-01
Series:Materials
Subjects:
ab initio calculations
structural and anisotropic properties
silicon allotropes
Online Access:http://www.mdpi.com/1996-1944/9/4/284

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http://www.mdpi.com/1996-1944/9/4/284

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