Energy bands, Compton profile, and optical conductivity of vanadium

Energy bands, Compton profile, and optical conductivity of vanadium

A self-consistent calculations of energy bands in vanadium has been performed using the linear-combination-of-atomic-orbitals method. The basis contained 13 s-type, ten p-type, five d-type, and one f-type Gaussian orbitals. A local exchange potential of the Kohn-Sham form was included. Results are p...

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Veröffentlicht in:Phys. Rev., B; (United States) B; (United States), 1978-01, Vol.17 (2), p.455-461
Hauptverfasser: Laurent, D. G., Wang, C. S., Callaway, J.
Format: Artikel
Sprache:eng
Schlagworte:
360104 - Metals & Alloys- Physical Properties
D STATES
ELEMENTS
ENERGY LEVELS
ENERGY-LEVEL DENSITY
F STATES
FERMI LEVEL
LCAO METHOD
MATERIALS SCIENCE
METALS
P STATES
S STATES
TRANSITION ELEMENTS
VANADIUM
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Zusammenfassung:A self-consistent calculations of energy bands in vanadium has been performed using the linear-combination-of-atomic-orbitals method. The basis contained 13 s-type, ten p-type, five d-type, and one f-type Gaussian orbitals. A local exchange potential of the Kohn-Sham form was included. Results are presented for the band structure, density of states, Compton profile, and optical conductivity.
ISSN:0163-1829
DOI:10.1103/PhysRevB.17.455