Pseudo-half-metallicity in the double perovskite Sr2CrReO6 from density-functional calculations
2005 (English)In: Applied Physics Letters, ISSN 0003-6951, E-ISSN 1077-3118, Vol. 86, no 3Article in journal (Refereed) Published
The electronic structure of the spintronic material Sr2CrReO6 is studied by means of full-potential linear muffin-tin orbital method. Scalar relativistic calculations predict Sr2CrReO6 to be half-metallic with a magnetic moment of 1 muB. When spin-orbit coupling is included, the half-metallic gap closes into a pseudo-gap, and an unquenched rhenium orbital moment appears, resulting in a significant increase of the total magnetic moment to 1.28 AB. This moment is significantly larger than the experimental moment of 0.9 mu(B). A possible explanation of this discrepancy is that the anti-site disorder in Sr2CrReO6 is significantly larger than hitherto assumed.
Place, publisher, year, edition, pages
2005. Vol. 86, no 3
Condensed Matter Physics
IdentifiersURN: urn:nbn:se:kth:diva-59198DOI: 10.1063/1.1855418ISI: 000226864600055ScopusID: 2-s2.0-17044378535OAI: oai:DiVA.org:kth-59198DiVA: diva2:475332