First-principles investigation on elastic and thermodynamic properties of Pnnm-CN under high pressure

First-principles investigation on elastic and thermodynamic properties of Pnnm-CN under high pressure

The elastic anisotropy and thermodynamic properties of the recently synthesized Pnnm-CN have been investigated using first-principles calculations under high temperature and high pressure. The calculated equilibrium crystal parameters and normalized volume dependence of the resulting pressure agree...

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Bibliographic Details
Main Authors:	Zhao Ya-Ru, Zhang Hai-Rong, Zhang Gang-Tai, Wei Qun, Yuan Yu-Quan
Format:	Article
Language:	English
Published:	AIP Publishing LLC 2016-12-01
Series:	AIP Advances
Online Access:	http://dx.doi.org/10.1063/1.4972775

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