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Chemical Binding and Energy Band Structure of Vanadium Monocarbide by L. P. Mokhracheva; V. A. Tskhai; P. V. Geld is a Physics and Astronomy article available to read on EtoBox.

What is Chemical Binding and Energy Band Structure of Vanadium Monocarbide about?

## Abstract The band structure of vanadium monocarbide is calculated by the tight‐binding method. A set of ten Boch of the 3d, 4s and 2s, 2p states of the free V and C atoms is used as the basis functions. The secular equation is solved at the 89 points of the 1/48th of the Brillouin zone. The denisty of states and partial density of states histograms are obtained. The populations of the orbitals show that about 0.5 electrons transfer from the carbon to the vanadium, orbitals. However, the distribution of the electron charge density points out that there are strong directional metalnon‐mental bonds, in which carbon cannot be considered as a positive ion.

Who reads Chemical Binding and Energy Band Structure of Vanadium Monocarbide?

Author

L. P. Mokhracheva; V. A. Tskhai; P. V. Geld

Publisher

John Wiley and Sons; Wiley (John Wiley & Sons); John Wiley & Sons Ltd.; Wiley (ISSN 0370-1972)

Published

1977

Language

DE

Field

Physics and Astronomy (Physical Sciences)