Published May 7, 2015 | Version v1
Journal article Metadata-only

Half-metallic antiferromagnetism in double perovskite BiPbCrCuO6

Creators

  • 1. Department of Physics, National Taiwan University, Taipei 106, Taiwan (China)
  • 2. Center for General Education and Department of Physics, National Taiwan Normal University, Taipei 106, Taiwan (China)

Description

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↑t2g3↓eg2↑eg↓) via the intermediate O2−(2s22p6) ion

Additional details

Identifiers

DOI
10.1063/1.4916758;

Publishing Information

Journal Title
Journal of Applied Physics
Journal Volume
117
Journal Issue
17
Journal Page Range
vp.
ISSN
0021-8979
CODEN
JAPIAU

INIS

Country of Publication
United States
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
46115963
Subject category
S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
Descriptors DEI
ANTIFERROMAGNETISM; APPROXIMATIONS; ATOMIC FORCE MICROSCOPY; BISMUTH COMPOUNDS; CHROMIUM COMPOUNDS; CHROMIUM IONS; COPPER IONS; COPPER OXIDES; CORRELATIONS; DENSITY FUNCTIONAL METHOD; ELECTRONIC STRUCTURE; LEAD COMPOUNDS; MAGNETIC PROPERTIES; PEROVSKITE
Descriptors DEC
CALCULATION METHODS; CHALCOGENIDES; CHARGED PARTICLES; COPPER COMPOUNDS; IONS; MAGNETISM; MICROSCOPY; MINERALS; OXIDE MINERALS; OXIDES; OXYGEN COMPOUNDS; PEROVSKITES; PHYSICAL PROPERTIES; TRANSITION ELEMENT COMPOUNDS; VARIATIONAL METHODS

Optional Information

Notes
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