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Electronic structure and f hybridisation of UX3 compounds

Strange, Paul (1986) Electronic structure and f hybridisation of UX3 compounds. Journal of Physics F : Metal Physics, 16 (10). pp. 1515-1524. ISSN 0305-4608. (doi:10.1088/0305-4608/16/10/018) (Access to this publication is currently restricted. You may be able to access a copy if URLs are provided) (KAR id:41508)

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A wide range of behaviour is observed in uranium materials with stoichiometry UX,.Many compounds of this type are described well by density functional theory, but several are not. The results of fully relativistic self-consistent density functional calculations using the LMTO method are presented for the materials U S , , USn, and URu,. In the light of these results we discuss the applicability of band theory to these materials and indicate how this correlates with the position of the non-uranium atom in the Periodic Table. The importance of the f band width and the details of the hybridisation between uranium f states and non-f states on neighbouring sites are emphasised.

Item Type: Article
DOI/Identification number: 10.1088/0305-4608/16/10/018
Uncontrolled keywords: Physics of Quantum Materials
Subjects: Q Science > QC Physics
Divisions: Divisions > Division of Natural Sciences > Physics and Astronomy
Depositing User: Paul Strange
Date Deposited: 24 Jun 2014 08:28 UTC
Last Modified: 16 Nov 2021 10:16 UTC
Resource URI: (The current URI for this page, for reference purposes)

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