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Effect of ordering on structure and properties of vanadium carbide

โœ Scribed by V.N. Lipatnikov; P. Etmayer

Book ID
117184882
Publisher
Elsevier Science
Year
1998
Tongue
English
Weight
320 KB
Volume
53
Category
Article
ISSN
0026-0657

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Ab initio total energy calculations are performed on non-stoichiometric vanadium carbide with supercells representing vacancy concentrations of VC 0.875 and VC 0.75 . The VC 0.875 supercell retains a cubic symmetry whilst in the case of the VC 0.75 supercell C vacancies located in close proximity ha