First-Principles Study on the Magnetic Anisotropy in Multiferroic PbVO<SUB>3</SUB> and BiCoO<SUB>3</SUB>

• Uratani Yoshitaka

  Department of Quantum Matter, ADSM, Hiroshima University

• Shishidou Tatsuya

  Department of Quantum Matter, ADSM, Hiroshima University

• Oguchi Tamio

  Department of Quantum Matter, ADSM, Hiroshima University Institute for Advanced Materials Research, Hiroshima University

Bibliographic Information

Other Title

• First-principles study on the magnetic anisotropy in multiferroic PbVO3 and BiCoO3

Abstract

Magnetic anisotropy energies (MAE) of multiferroic PbVO₃ and BiCoO₃ are evaluated from first-principles density functional calculations. Even though both oxides have similar crystal and electronic structures, calculated easy axes of spin are different: [110] in PbVO₃ and [001] in BiCoO₃. To explain the difference, the origin of MAE is discussed with a perturbation theory by taking into account of the electronic structure obtained by the first-principles calculations.

Journal

• Journal of the Physical Society of Japan

  Journal of the Physical Society of Japan 78 (8), 084709-084709, 2009

  THE PHYSICAL SOCIETY OF JAPAN

Keywords

• electronic structure
• first-principles calculations
• spin–orbit interaction
• magnetic anisotropy
• multiferroics
• orbital order
• perovskites

Details

• CRID: 1390282679173887488
• NII Article ID: 120001898370
• NII Article ID: 130005437793
• NII Article ID: 210000107937
• NII Book ID: AA00704814
• DOI: 10.1143/jpsj.78.084709
• ISSN: 13474073
• ISSN: 00319015
• NDL BIB ID: 10317305
• Web Site: http://ir.lib.hiroshima-u.ac.jp/00028858
• Web Site: https://ndlsearch.ndl.go.jp/books/R000000004-I10317305
• Web Site: https://journals.jps.jp/doi/pdf/10.1143/JPSJ.78.084709
• Text Lang: en
• Data Source:
  • JaLC
  • IRDB
  • NDL
  • Crossref
  • CiNii Articles
  • KAKEN
• Abstract License Flag: Disallowed