Systematics for trivalent and divalent rare-earth sulphides

Temmerman, Walter and Svane, Axel and Strange, Paul and Szotek, Zdzislawa and Winter, Herman (2000) Systematics for trivalent and divalent rare-earth sulphides. Philosophical Magazine Part B, 80 (6). pp. 1179-1191. ISSN 0141-8637. (doi:https://doi.org/10.1080/13642810008208590) (Access to this publication is currently restricted. You may be able to access a copy if URLs are provided)

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Abstract

The electronic structures of the rare-earth monosulphides are calculated with the self-interaction corrected local-spin-density approximation. This scheme allows part of the rare-earth f shell to be localized. Both trivalent and divalent configurations of the rare earths are considered, and the systematics in lattice constants and electronic densities of states are investigated. The scheme is found to be accurate in describing the properties of these systems and reveals that two kinds off electrons in fact are present in the rare-earth monosulphides, namely both localized atomic-like f electrons and itinerant band f electrons, which hybridize with the normal conduction bands. The stability of the divalent configuration directly correlates with the number of band f electrons.

Item Type: Article
Subjects: Q Science > QC Physics > QC176 Solid state physics
Divisions: Faculties > Sciences > School of Physical Sciences
Depositing User: Paul Strange
Date Deposited: 17 Nov 2016 17:01 UTC
Last Modified: 21 Nov 2016 09:40 UTC
Resource URI: https://kar.kent.ac.uk/id/eprint/58760 (The current URI for this page, for reference purposes)
Strange, Paul: https://orcid.org/0000-0001-5818-8032
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