Format:
Online-Ressource
ISSN:
1521-3951
Content:
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.
In:
volume:84
In:
number:2
In:
year:2006
In:
pages:465-471
In:
extent:7
In:
Physica status solidi / B. B, Basic solid state physics, Weinheim : Wiley-VCH, [1971]-, 84, Heft 2 (2006), 465-471 (gesamt 7), 1521-3951
Language:
English
DOI:
10.1002/pssb.2220840209
URN:
urn:nbn:de:101:1-2405080344108.004185717841
URL:
https://doi.org/10.1002/pssb.2220840209
URL:
https://nbn-resolving.org/urn:nbn:de:101:1-2405080344108.004185717841
URL:
https://d-nb.info/1328652165/34
URL:
https://doi.org/10.1002/pssb.2220840209
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