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The Band Structure of VO by the APW‐LCAO Method
Author(s) -
Kraan D. J.
Publication year - 1973
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.2220600214
Subject(s) - brillouin zone , linear combination of atomic orbitals , interpolation (computer graphics) , symmetry (geometry) , electronic band structure , vanadium , condensed matter physics , density of states , energy (signal processing) , physics , mathematics , quantum mechanics , atomic orbital , materials science , geometry , classical mechanics , metallurgy , motion (physics) , electron
An APW energy band calculation has been carried out for f.c.c. VO for several symmetry points in the Brillouin zone. Interpolation of the energy values and calculation of the density of states is executed in a way proposed by Mattheiss, with the difference that the vanadium 4s orbital is included in the scheme of this paper.