Title

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.

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.

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