Half-metallic antiferromagnets in double perovskites: LaAVRuO${}_6$ (A=Ca, Sr, and Ba)

Abstract

Based on the theoretical exploration of electronic structures, we propose that the ordered double perovskites LaAVRuO${}_6$ and LaVO${}_3$/ARuO${}_3$ (001) superlattice (A = Ca, Sr and Ba) are strong candidates for half-metallic (HM) antiferromagnets (AFMs). %LaAVRuO${}_6$ and LaVO${}_3$/ARuO${}_3$ have the %100% spin polarizations at the Fermi level but with zero %total magnetic moments. We have shown that the HM-AFM nature in LaAVRuO${}_6$ is very robust regardless of (i) divalent ion replacement at A-sites, (ii) oxygen site relaxation, (iii) the inclusion of the Coulomb correlation, and (iv) cation disorder. A type of the double exchange interaction is expected to be responsible for the half-metallicity and the antiferromagnetism in these systems.

4 pages, 4 figures

References in corpus (2)

• Spin Order due to Orbital Fluctuations: Cubic Vanadates
• Ab-initio study of disorder effects on the electronic and magnetic structures of Sr${}_2$FeMoO${}_6$

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