Elastic properties of 5d transition-metal carbides: An ab initio study

Elastic properties of 5d transition-metal carbides: An ab initio study

We have systematically studied the mechanical stability of group V transition metal carbides TMC<sub>2</sub> (TM=Hf, Ta, W, Re, Os, Ir, Pt, and Au) in the pyrite and fluorite phase, by calculating their elastic constants within the density functional theory scheme. It was found that all...

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Bibliographic Details
Main Authors:	L. Mex, A. Aguayo, G. Murrieta
Format:	Article
Language:	English
Published:	Institute for Condensed Matter Physics 2015-09-01
Series:	Condensed Matter Physics
Subjects:	first-principles calculation elastic constants hard material transition metals
Online Access:	http://dx.doi.org/10.5488/CMP.18.33801

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