Half-metallic antiferromagnetic double perovskites: LaAVRuO(6) (A=Ca, Sr, and Ba)

Article

关键词: ELECTRONIC-STRUCTURE;    INSULATOR TRANSITIONS;    THIN-FILMS;    MAGNETORESISTANCE;    SPECTROSCOPY;    PHOTOEMISSION;    ORDERINGS;    SRRUO3;    BARUO3;    SYSTEM;   

DOI  :  10.1103/PhysRevB.65.174401

来源: SCIE

【 摘 要 】

Based on the theoretical exploration of electronic structures, we propose that the ordered double perovskites LaAVRuO(6) and LaVO3/ARuO(3) (001) superlattice (A=Ca, Sr, and Ba) are strong candidates for half-metallic (HM) antiferromagnets (AFM's). 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.

【 授权许可】

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