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A local-density functional description of the valence transition in samarium sulphide

Strange, Paul (1984) A local-density functional description of the valence transition in samarium sulphide. Journal of Physics C: Solid State Physics, 17 (24). pp. 4273-4290. ISSN 0022-3719. (doi:10.1088/0022-3719/17/24/010) (Access to this publication is currently restricted. You may be able to access a copy if URLs are provided)

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http://dx.doi.org/10.1088/0022-3719/17/24/010

Abstract

A self-consistent relativistic band-structure calculation on samarium sulphide using the local-densityapproximation is discussed.The LMTO method was used and the bands were calculated for several values of the lattice constant. The results of these calculations showthatalocal-densityfunctionalapproachcandescribethef-d valencetransition.The importance of using a fully relativistic treatment is emphasised.Inboth the high- and low- volume phases SmS shows a band-gap at the Fermi energy. The structural and bonding properties as they change through the transition are discussed in detail. Comparison with experimental measurements of the absorptive part of the dielectric function is made.

Item Type: Article
DOI/Identification number: 10.1088/0022-3719/17/24/010
Uncontrolled keywords: Physics of Quantum Materials
Subjects: Q Science > QC Physics
Divisions: Faculties > Sciences > School of Physical Sciences
Faculties > Sciences > School of Physical Sciences > Functional Materials Group
Depositing User: Paul Strange
Date Deposited: 09 Jun 2014 12:26 UTC
Last Modified: 17 Jul 2019 10:48 UTC
Resource URI: https://kar.kent.ac.uk/id/eprint/41360 (The current URI for this page, for reference purposes)
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