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Magnetism and electronic structure calculation of SmN
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory.
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2015 (English)In: Journal of Physics: Condensed Matter, ISSN 0953-8984, E-ISSN 1361-648X, Vol. 27, no 11, 115503Article in journal (Refereed) Published
Abstract [en]

The results of the electronic structure calculations performed on SmN by using the LDA+U method with and without including the spin-orbit coupling are presented. Within the LDA+U approach, a N(2p) band polarization of about 0.3 mu(B) is induced by Sm(4f)-N(2p) hybridization, and a half-metallic ground state is obtained. By including spin-orbit coupling the magnetic structure was shown to be antiferromagnetic of type II, with Sm spin and orbital moments nearly cancelling. This results into a semiconducting ground state, which is in agreement with experimental results.

Place, publisher, year, edition, pages
2015. Vol. 27, no 11, 115503
Keyword [en]
electronic structure, density functional theory, magnetism
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:uu:diva-251415DOI: 10.1088/0953-8984/27/11/115503ISI: 000350749000011PubMedID: 25738224OAI: oai:DiVA.org:uu-251415DiVA: diva2:807439
Available from: 2015-04-23 Created: 2015-04-17 Last updated: 2017-12-04Bibliographically approved

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Di Marco, Igor

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