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Electronic structure of the ferromagnetic double-perovskites Sr2CrReO6, Sr2CrWO6, and Ba2FeReO6
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics.
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics.
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics.ORCID iD: 0000-0001-7788-6127
2006 (English)In: Journal of Physics, Conference Series, ISSN 1742-6588, E-ISSN 1742-6596, Vol. 29, no 1, 50-53 p.Article in journal (Refereed) Published
Abstract [en]

We have studied the electronic structure of the ferromagnetic double perovskites Sr2CrReO6, Sr2CrWO6 and Ba2FeReO6 by means of a full-potential linear muffin-tin orbital density-functional method. Our scalar-relativistic calculations predict these compounds to be half-metallic with a total magnetic moment of 1, 2, and 3 νB respectively. However, when the spin-orbit coupling is included, the 5d transition Re and W ions exhibit substantial unquenched orbital magnetic moments, resulting in a significant increase of the total magnetic moment. The half-metallic gap turns into a pseudo-gap in Sr 2CrReO6 and Ba2FeReO6 when the spin-orbit coupling is included whereas Sr2CrWO6 remains half-metallic even with spin-orbit coupling. The calculated spin and orbital magnetic moments agrees well with the recent experimental XMCD measurements.

Place, publisher, year, edition, pages
2006. Vol. 29, no 1, 50-53 p.
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:kth:diva-59201DOI: 10.1088/1742-6596/29/1/008Scopus ID: 2-s2.0-32144448364OAI: oai:DiVA.org:kth-59201DiVA: diva2:475345
Note
QC 20120112Available from: 2012-01-10 Created: 2012-01-10 Last updated: 2017-12-08Bibliographically approved

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Delin, Anna

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