論文

査読有り
2014年6月

Ab initio study of multiferroic BiFeO3 (110) surfaces

PHYSICAL REVIEW B
  • Takahiro Shimada
  • ,
  • Kou Arisue
  • ,
  • Jie Wang
  • ,
  • Takayuki Kitamura

89
24
開始ページ
245437
終了ページ
記述言語
英語
掲載種別
研究論文(学術雑誌)
DOI
10.1103/PhysRevB.89.245437
出版者・発行元
AMER PHYSICAL SOC

The nature of multiferroic surfaces, more specifically, the energetic, ferroelectric, and noncollinear magnetic properties of BiFeO3 (110) surfaces, is investigated using ab initio (first-principles) calculations based on the fully unconstrained spin-density functional theory. As in the case of other perovskite oxides, the O-terminated surface is found to be energetically favorable. The spontaneous polarization and magnetic moment at the surface rotate in different ways from their counterparts in the bulk, which leads to a unique magnetoelectric response at the surface. The detailed lattice-distortion-mode (symmetry) analysis reveals that the rotation of the ferroelectric polarization results from the additional symmetry breaking due to the surface termination, whereas the rotation of the magnetic moment is predominantly caused by the magnetocrystalline anisotropy. Furthermore, we investigate the effect of epitaxial strain and find that the strain responses of both the polarization and the magnetic moment are markedly enhanced at the surfaces.

リンク情報
DOI
https://doi.org/10.1103/PhysRevB.89.245437
Web of Science
https://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=JSTA_CEL&SrcApp=J_Gate_JST&DestLinkType=FullRecord&KeyUT=WOS:000338516500010&DestApp=WOS_CPL
ID情報
  • DOI : 10.1103/PhysRevB.89.245437
  • ISSN : 1098-0121
  • eISSN : 1550-235X
  • Web of Science ID : WOS:000338516500010

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