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Proceedings Paper

Heat excitation of electronic band structure in lithium
Author(s): V. A. Popov
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Paper Abstract

Procedures are presented for the accurate calculation of the band energy of a solid within the framework of the Hartree-Fock approximation. The starting point is a self-consistent calculation using a Gaussian basis. The method is applied to study the band energy of metallic lithium as a function of temperature. Calculated density of states, optical conductivity, K X- ray emission edge, and some other electronic properties agree with the experiment. We have found small energy-band changes for lithium, most notably a widening of electronic core states, and transfer of external electrons from s-symmetry states to p-symmetry states.

Paper Details

Date Published: 31 May 1996
PDF: 8 pages
Proc. SPIE 2715, Smart Structures and Materials 1996: Mathematics and Control in Smart Structures, (31 May 1996); doi: 10.1117/12.240844
Show Author Affiliations
V. A. Popov, Altai State Technical Univ. (Russia)


Published in SPIE Proceedings Vol. 2715:
Smart Structures and Materials 1996: Mathematics and Control in Smart Structures
Vasundara V. Varadan; Jagdish Chandra, Editor(s)

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