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Energy band structure of vanadium, zirconium, and niobium monocarbides
Author(s) -
Potorocha V. I.,
Tskhai V. A.,
Geld E. V.
Publication year - 1971
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2220480109
Subject(s) - niobium , vanadium , brillouin zone , zirconium , electronic band structure , metal , materials science , atomic physics , atomic orbital , electron , condensed matter physics , physics , metallurgy , nuclear physics
The results of calculations of the electron energy spectrum and the contribution of atomic states to the formation of band structure of vanadium, niobium, and zirconium monocarbides based on the tight‐binding method arc reported. The calculations were performed in two‐centre approximation, taking into account the ns and ( n – 1) d‐orbitals of metal atoms and 2s, 2p carbon atoms. The secular equation was solved in 214 points, 1/48th of the Brillouin zone. A discussion of results and their comparison with experimental data are presented.