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Half-metallic to insulating behavior of rare-earth nitrides

Aerts, Catherine, Strange, Paul, Horne, M., Temmerman, Walter, Szotek, Zdzislawa, Svane, Axel (2004) Half-metallic to insulating behavior of rare-earth nitrides. Physical Review B: Condensed Matter and Materials Physics, 69 (04). 045115-1. ISSN 0163-1829. (doi:10.1103/PhysRevB.69.045115) (KAR id:41355)

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The electronic structure of the rare-earth nitrides is studied systematically using the ab initio self-interaction corrected local-spin-density approximation. This approach allows both a localized description of the rare-earth f electrons and an itinerant description of the valence electrons. Localizing different numbers of f electrons on the rare-earth atom corresponds to different valencies, and the total energies can be compared, providing a first-principles description of valence. We show that these materials have a broad range of electronic properties including forming a different class of half-metallic magnets with high magnetic moments, and are strong candidates for applications in spin-filtering devices.

Item Type: Article
DOI/Identification number: 10.1103/PhysRevB.69.045115
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: 09 Jun 2014 11:43 UTC
Last Modified: 16 Nov 2021 10:16 UTC
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