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arXiv · 1510.06917

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

L. Mex·A. Aguayo·G. Murrieta
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Abstract

We have systematically studied the mechanical stability of group V transition metal carbides TMC$_2$ (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 but ReC$_2$ and OsC$_2$ are stable in pyrite phase. On the other hand, all metal carbides studied were unstable in the fluorite phase.

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L. Mex, A. Aguayo, G. Murrieta. 2015-10-23. Elastic properties of 5d transition-metal carbides: An ab initio study. https://doi.org/10.5488/cmp.18.33801

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