Electronic structure and magnetic properties of hole-carrier-doped La 2 MnNiO6:La2-x Srx MnNiO6

Bongjae Kim, Hong Chul Choi, Beom Hyun Kim, B. I. Min

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Abstract

We have investigated hole-carrier-doping effects in a ferromagnetic insulator La2 MnNiO6. Employing the ab initio band-structure method, we have examined the changes in the electronic structures and the valence states of Sr-doped La2-x Srx MnNiO 6 with varying Sr doping ratio. On Sr doping, we have found a transition from a ferromagnetic insulating phase to a half-metallic phase. The half-metallic nature in La2-x Srx MnNiO6 is found to be robust with respect to the on-site Coulomb correlation of transition metal 3d electrons and the antisite disorder at B sites. We have corroborated that the substantially weak x-ray magnetic circular dichroism signal observed for La2-x Srx MnNiO6, as compared to the undoped system, is caused by antisite disorder at B sites in a Sr-doped system.

Original languageEnglish
Article number224402
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume81
Issue number22
DOIs
StatePublished - 1 Jun 2010

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