論文

査読有り
2014年2月15日

マルチフェロイクスBiFeO3の強誘電性-強磁性間相互作用に関する第一原理解析

材料
  • 有末 紘
  • ,
  • 嶋田 隆広
  • ,
  • 北村 隆行

63
2
開始ページ
168
終了ページ
173
記述言語
日本語
掲載種別
研究論文(学術雑誌)
DOI
10.2472/jsms.63.168
出版者・発行元
公益社団法人 日本材料学会

The intrinsic coupling between ferroelectricity and ferromagnetism in multiferroic BiFeO<font size="-1">3</font> is studied using first-principles density-functional theory calculations. The spontaneous polarization in multiferroic BiFeO<font size="-1">3</font> is found to be smaller than that in a pure ferroelectric phase which can be obtained by eliminating ferromagnetism artificially, while the total magnetic moment in multiferroic BiFeO<font size="-1">3</font> is lower than that in a pure ferromagnetic phase in which ferroelectric distortions are artificially frozen out. These results clearly show the competing interaction between ferroelectricity and ferromagnetism in BiFeO<font size="-1">3</font>. We further demonstrate that this competing nature in BiFeO<font size="-1">3</font> plays an important role under external loads: The polarization increases and the total magnetic moment conversely decreases with respect to uniaxial tensile strain along the [111] direction. The polarization and the total magnetic moment change in the opposite way under compressive strain. These results indicate that ferroelectricity and ferromagnetism show opposite strain response with each other. This arises from the mutual charge transfer between the [101]-and [101]-directed Bi-O bonds.

リンク情報
DOI
https://doi.org/10.2472/jsms.63.168
CiNii Articles
http://ci.nii.ac.jp/naid/130003393237
ID情報
  • DOI : 10.2472/jsms.63.168
  • ISSN : 0514-5163
  • ISSN : 1880-7488
  • CiNii Articles ID : 130003393237
  • SCOPUS ID : 84894522011

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