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

• Published in: Condensed Matter Physics
• Date: 2015
• Main Authors: Mex, L., Aguayo, A., Murrieta, G.
• Format: Article
• Language: English
• Published: Інститут фізики конденсованих систем НАН України 2015
• Online Access: https://nasplib.isofts.kiev.ua/handle/123456789/155269
• Journal Title: Digital Library of Periodicals of National Academy of Sciences of Ukraine
• Cite this: Elastic properties of 5d transition-metal carbides: An ab initio study / L. Mex, A. Aguayo, G. Murrieta // Condensed Matter Physics. — 2015. — Т. 18, № 3. — С. 33801: 1–7. — Бібліогр.: 24 назв. — англ.

We have systematically studied the mechanical stability of group V transition metal carbides TMC₂ (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 ReC₂ and OsC₂ are s...