Half-metallic antiferromagnetism in double perovskite BiPbCrCuO6

Ke Chuan Weng, Yin-Kuo Wang

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Abstract

The electronic structure and magnetic properties of BiPbCrCuO6 double perovskite are investigated based on first-principles density functional calculations with generalized gradient approximation (GGA) and GGA incorporated with Coulomb correlation interaction U (GGA + U). The results suggest the half-metallic (HM) and antiferromagnetic (AFM) properties of BiPbCrCuO6 double perovskite. The HM-AFM property of the double perovskite is caused by the double-exchange mechanism between neighboring Cr5+(t2g1 ) and Cu2+(t2g3 2g3 eg2 eg ) via the intermediate O2-(2s22p6)ion.

Original languageEnglish
Article number17D716
JournalJournal of Applied Physics
Volume117
Issue number17
DOIs
Publication statusPublished - 2015 May 7

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ASJC Scopus subject areas

  • Physics and Astronomy(all)

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