Mechanical and thermodynamic properties of the monoclinic andorthorhombic phases of SiC2N4 under high pressurefrom first principles*

Mechanical and thermodynamic properties of the monoclinic andorthorhombic phases of SiC2N4 under high pressurefrom first principles*

First principles calculations are preformed to systematically investigate the electronic structures, elastic and thermodynamic properties of the monoclinic and orthorhombic phases of SiC2N4 under pressure. The calculated structural parameters and elastic moduli are in good agreement with the availab...

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Bibliographic Details
Main Authors: Miao, N., Pu, C., He, C., Zhang, Feiwu, Lu, C., Lu, Z., Zhou, D.
Format: Journal Article
Published: Institute of Physics Publishing Ltd. 2014
Subjects:
SiC2N4
density functional theory
elastic anisotropy
Debye temperature
Online Access:http://hdl.handle.net/20.500.11937/7243

Internet

http://hdl.handle.net/20.500.11937/7243

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