Electronic structure of the ferromagnetic double-perovskites Sr2CrReO6, Sr2CrWO6, and Ba2FeReO6
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
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.
Condensed Matter Physics
IdentifiersURN: urn:nbn:se:kth:diva-59201DOI: 10.1088/1742-6596/29/1/008ScopusID: 2-s2.0-32144448364OAI: oai:DiVA.org:kth-59201DiVA: diva2:475345
QC 201201122012-01-102012-01-102012-01-12Bibliographically approved