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

2007/01/18 by Hongjun Xiang, H. J. Xiang, Myung‐Hwan Whangbo +1 · 5 citations
Materials Science · Physics and Astronomy · #Advanced Condensed Matter Physics #Magnetic and transport properties of perovskites and related materials #Multiferroics and related materials #cond-mat.mtrl-sci #cond-mat.str-el

paper · pdf · doi:10.1103/physrevb.75.052407

published as Phys. Rev. B 75, 052407 (2007)

arxiv created 2007/01/18 · openalex publication_date 2007/02/15 · arxiv updated 2009/12/01 · openalex created_date 2016/06/24 · openalex updated_date 2026/07/28

Abstract

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.

Citations

• Generalized Gradient Approximation Made Simple

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