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

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

Alexander Leonidovich Ivanovskii 1
Alexander Leonidovich Ivanovskii
, 
Nadezhda Ivanovna Medvedeva 1
Nadezhda Ivanovna Medvedeva
, 
Julia Evgenievna Medvedeva 1
Julia Evgenievna Medvedeva
10.1070/MC1998v008n04ABEH000977
Published 1998-09-10
Communication , Volume 8, Issue 4, 129-131
15
Share
Cite this
GOST
 | 
Cite this
GOST Copy
Ivanovskii A. L., Medvedeva N. I., Medvedeva J. E. Quantum-chemical analysis of the chemical stability and cohesive properties of hexagonal TiB2, VB2, ZrB2 and NbB2 // Mendeleev Communications. 1998. Vol. 8. No. 4. pp. 129-131.
GOST all authors (up to 50) Copy
Ivanovskii A. L., Medvedeva N. I., Medvedeva J. E. Quantum-chemical analysis of the chemical stability and cohesive properties of hexagonal TiB2, VB2, ZrB2 and NbB2 // Mendeleev Communications. 1998. Vol. 8. No. 4. pp. 129-131.
RIS
 | 
Cite this
RIS Copy
TY - JOUR
DO - 10.1070/MC1998v008n04ABEH000977
UR - https://mendcomm.colab.ws/publications/10.1070/MC1998v008n04ABEH000977
TI - Quantum-chemical analysis of the chemical stability and cohesive properties of hexagonal TiB2, VB2, ZrB2 and NbB2
T2 - Mendeleev Communications
AU - Ivanovskii, Alexander Leonidovich
AU - Medvedeva, Nadezhda Ivanovna
AU - Medvedeva, Julia Evgenievna
PY - 1998
DA - 1998/09/10
PB - Mendeleev Communications
SP - 129-131
IS - 4
VL - 8
ER -
BibTex
 | 
Cite this
BibTex (up to 50 authors) Copy
@article{1998_Ivanovskii,
author = {Alexander Leonidovich Ivanovskii and Nadezhda Ivanovna Medvedeva and Julia Evgenievna Medvedeva},
title = {Quantum-chemical analysis of the chemical stability and cohesive properties of hexagonal TiB2, VB2, ZrB2 and NbB2},
journal = {Mendeleev Communications},
year = {1998},
volume = {8},
publisher = {Mendeleev Communications},
month = {Sep},
url = {https://mendcomm.colab.ws/publications/10.1070/MC1998v008n04ABEH000977},
number = {4},
pages = {129--131},
doi = {10.1070/MC1998v008n04ABEH000977}
}
MLA
Cite this
MLA Copy
Ivanovskii, Alexander Leonidovich, 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, Sep. 1998, pp. 129-131. https://mendcomm.colab.ws/publications/10.1070/MC1998v008n04ABEH000977.

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.

References

1.
10.1070/MC1998v008n04ABEH000977_bib1
Goldschmidt
1967
2.
10.1070/MC1998v008n04ABEH000977_bib2
Serebryakova
Vysokotemperaturnye Boridy, 1991
3.
The chemical bonding and electronic properties of metal borides
Shveikin G.P., Ivanovskii A.L.
Russian Chemical Reviews, 1994
4.
10.1070/MC1998v008n04ABEH000977_bib4
Ivanovskii
Kvantovaya khimiya v materialovedenii. Bor, ego splavy i soedineniya, 1997
5.
Bonding in the refractory hard-metals
Dempsey E.
The Philosophical Magazine, 1963
6.
Electronic structure of transition-metal borides with the AlB2 structure
Burdett J.K., Canadell E., Miller G.J.
Journal of the American Chemical Society, 1986
8.
Bonding properties and vibrational entropy of transition metal MeB2(AlB2) diborides
Guillermet A.F., Grimvall G.
Journal of the Less Common Metals, 1991
10.
10.1070/MC1998v008n04ABEH000977_bib10
Williams
Alloy Phase Diagrams, 1983
12.
Local-density approximation: Cohesion in the transition metals ands→dpromotion in the transition-metal atoms
Watson R.E., Fernando G.W., Weinert M., Wang Y.J., Davenport J.W.
Physical Review B, 1991