Quantum-Chemical Analysis of the Chemical Stability and Cohesive Properties of Hexagonal TiB₂, VB₂, ZrB₂ and NbB₂
Abstract
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.
Recommended Citation
A. L. Ivanovskii et al., "Quantum-Chemical Analysis of the Chemical Stability and Cohesive Properties of Hexagonal TiB₂, VB₂, ZrB₂ and NbB₂," Mendeleev Communications, vol. 8, no. 4, pp. 129 - 131, Elsevier, Jul 1998.
The definitive version is available at https://doi.org/10.1070/MC1998v008n04ABEH000977
Department(s)
Physics
International Standard Serial Number (ISSN)
0959-9436
Document Type
Article - Journal
Document Version
Citation
File Type
text
Language(s)
English
Rights
© 1998 Elsevier, All rights reserved.
Publication Date
01 Jul 1998
