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.
A. L. Ivanovsky, N. I. Medvedeva and Y. E. Medvedeva, Mendeleev Commun., 1998, 8, 129 DOI: 10.1070/MC1998v008n04ABEH000977
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