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The Influence of Heat Excitations, Vacancies and Impurities on the Energy Electronic Band-Structure of Metallic Lithium

Published online by Cambridge University Press:  10 February 2011

V. A. Popov
V. A. Popov*
Affiliation:
Altai State Technical University, 656099 Barnaul, Russia
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Abstract

The Korringa-Kohn-Rostoker method with Green's function averaged over the atomic configurations in a complex Ising lattice and a muffin-tin potential was used to calculate the electronic-band structure in lithium containing vacancies and s, p, and d impurities. It is shown that substantial changes in the profile of the Fermi surface do not lead to necking, as was postulated previously, but cause splitting of the electronic states at the face of the Brillouin zone. This is attributed to the reduced symmetry of the crystal lattice with impurity excitation of the electronic-subsystem.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 538: Symposium J – Multiscale Modelling of Materials , 1998 , 395
Copyright
Copyright © Materials Research Society 1999

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