Cooperative Effect of Electron Correlation and Spin-Orbit Coupling on the Electronic and Magnetic Properties of Ba2NaOsO6

Details Cooperative Effect of Electron Correlation and Spin-Orbit Coupling on the Electronic and Magnetic Properties of Ba2NaOsO6 Cooperative Effect of Electron Correlation and Spin-Orbit Coupling on the Electronic and Magnetic Properties of Ba2NaOsO6

2007-01-18

arxiv.org/abs/cond-mat/0701460v1

Phys. Rev. B 75, 052407 (2007)

Physics

Condensed Matter

Materials Science

Scientific paper

10.1103/PhysRevB.75.052407

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 Ba2 NaOsO6 but also for a small magnetic moment and a weak magnetic anisotropy in Ba2NaOsO6.

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