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Valentina F. Degtyareva, Irina S. Smirnova

BRIZ: a vizualization program for Brillouin zone – Fermi sphere configuration

Keywords: Alloys, Intermetallic phases, Crystal structure stability, Simple sp metals, BRIZ Computer program

The program BRIZ has been developed for displaying Brillouin zones and Fermi sphere configurations. The underlying physics relates to the nearly-free-electron model for simple sp-metals. A Brillouin zone boundary near the Fermi level provides formation of the energy gap and leads to the lowering of the structure energy. Consideration of the Brillouin zone with respect to a free-electron Fermi sphere and zone filling by electron states provides useful information for phase structure stability and physical properties.

Zeitschrift für Kristallographie, Oldenbourg Wissenschaftsverlag

Print ISSN: 0044-2968
Volume: 222, 12/2007
Pages: 718 - 721

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