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The electronic and magnetic properties of the cubic double perovskiteBa2NaOsO6 were examined by performing first-principles density functionaltheory calculations and analyzing spin-orbit coupled states of an Os7+ (d1) ionat an octahedral crystal field. The insulating behavior of Ba2NaOsO6 was shownto originate from a cooperative effect of electron correlation and spin-orbitcoupling. This cooperative effect is responsible not only for the absence oforbital ordering in Ba2 NaOsO6 but also for a small magnetic moment and a weakmagnetic anisotropy in Ba2NaOsO6

physical review. b, condensed matter and materials physics

Cooperative effect of electron correlation and spin-orbit coupling on the electronic and magnetic properties of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mi mathvariant="normal">Ba</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:mi mathvariant="normal">Na</mml:mi><mml:mi mathvariant="normal">Os</mml:mi><mml:msub><mml:mi mathvariant="normal">O</mml:mi><mml:mn>6</mml:mn></mml:msub></mml:mrow></mml:math>

Cooperative effect of electron correlation and spin-orbit coupling on the electronic and magnetic properties ofBa2NaOsO6