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ID 17116
本文ファイル
著者
Uratani, Yoshitaka
Ishii, Fumiyuki
キーワード
multiferroics
first-principles calculation
ferromagnetic
ferroelectric
double-perovskite structure
NDC
物理学
抄録(英)
Possible ferromagnetic and ferroelectric phases are explored for bismuth transition-metal oxides with doubleperovskite structure A2BB0O6 on the basis of first-principles calculations within the local spin-density approximation (LSDA) and generalized gradient approximation (GGA). It is found that a lattice instability of the cubic to a non-centrosymmetric phase always happens in the all cases of lead and bismuth perovskite oxides with the 3d transition-metal ions at the B site. Placing bismuth ion at the A site in the double-perovskite structure, several sets of the 3d transition-metal ions are selected according to their total valence sum and the Goodenough-Kanamori rule for the superexchange coupling. Ferromagnetic solutions are actually obtained both within LSDA and GGA for Bi2CrFeO6, Bi2MnNiO6 and Bi2CrCuO6. For non-centrosymmetric monoclinic Bi2MnNiO6, the ferromagnetic and ferroelectric phase has the spin magnetic moment of 5μB and the electric polarization of 28μC/cm2.
掲載誌名
Physica B : Condensed Matter
383巻
1号
開始ページ
9
終了ページ
12
出版年月日
2006-08-15
出版者
Elsevier
ISSN
0921-4526
NCID
出版者DOI
言語
英語
NII資源タイプ
学術雑誌論文
広大資料タイプ
学術雑誌論文
DCMIタイプ
text
フォーマット
application/pdf
著者版フラグ
author
権利情報
Copyright (c) 2006 Elsevier Ltd.
関連情報URL(IsVersionOf)
http://dx.doi.org/10.1016/j.physb.2006.03.035
部局名
先端物質科学研究科