First-principles investigation of elastic and thermodynamic properties of SiCN under pressure

First-principles investigation of elastic and thermodynamic properties of SiCN under pressure

The structural and thermodynamic properties of the hexagonal, tetragonal, and orthorhombic phases ofSiCN under high pressure are investigated by first-principles study based on the pseudo-potential planewave density functional theory method. The calculated equilibrium lattice constants, bulk modulus...

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Bibliographic Details
Main Authors: Jia, J., Zhou, D., Zhang, J., Zhang, Feiwu, Lu, Z., Pu, C.
Format: Journal Article
Published: Elsevier 2014
Subjects:
Elastic anisotropy
SiCN
First-principles
Elastic constants
Online Access:http://hdl.handle.net/20.500.11937/16527

Internet

http://hdl.handle.net/20.500.11937/16527

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