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ЖУРНАЛЫ // Mendeleev Communications // Архив

Mendeleev Commun., 1998, том 8, выпуск 4, страницы 129–131 (Mi mendc4689)

Эта публикация цитируется в 15 статьях

Quantum-chemical analysis of the chemical stability and cohesive properties of hexagonal TiB2, VB2, ZrB2 and NbB2

A. L. Ivanovskii, N. I. Medvedeva, J. E. Medvedeva

Institute of Solid State Chemistry, Ural Branch of the Russian Academy of Sciences, Ekaterinburg, Russian Federation

Аннотация: The cohesive properties and chemical stability of diborides MB2 have been analysed using the results of full-potential LMTO calculations. A comparison of interatomic M–M, M–B and B–B interactions in MB2 phases (M = Ti, V, Zr, Nb) shows that the changes in the cohesive properties are mainly controlled by the strength of the covalent M–B bonds.

Язык публикации: английский

DOI: 10.1070/MC1998v008n04ABEH000977



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