Phys. Rev. B 75, 052407 (2007) [4 pages]Cooperative effect of electron correlation and spin-orbit coupling on the electronic and magnetic properties of Ba2NaOsO6Received 26 January 2007; published 15 February 2007 The electronic and magnetic properties of the cubic double perovskite Ba2NaOsO6 were examined by performing first-principles density functional theory calculations and analyzing spin-orbit coupled states of an Os7+ (d1) ion at an octahedral crystal field. The insulating behavior of Ba2NaOsO6 was shown to originate from a cooperative effect of electron correlation and spin-orbit coupling. This cooperative effect is responsible not only for the absence of orbital ordering in Ba2NaOsO6 but also for a small magnetic moment and a weak magnetic anisotropy in Ba2NaOsO6. © 2007 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevB.75.052407
DOI:
10.1103/PhysRevB.75.052407
PACS:
75.30.Gw, 71.70.Ej, 71.20.−b, 71.27.+a
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