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首页> 外文期刊>Physical review >Noncollinear magnetism and single-ion anisotropy in multiferroic perovskites
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Noncollinear magnetism and single-ion anisotropy in multiferroic perovskites

机译：多铁钙钛矿中的非共线磁性和单离子各向异性

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摘要

The link between the crystal distortions of the perovskite structure and the magnetic exchange interaction, the single-ion anisotropy (SIA), and the Dzyaloshinsky-Moriya (DM) interaction are investigated by means of density functional calculations. Using BiFeO_3 and LaFeO_3 as model systems, we quantify the relationship between the oxygen octahedra rotations, the ferroelectricity, and the weak ferromagnetism (wFM). We recover the fact that the wFM is due to the DM interaction induced by the oxygen octahedra rotations. We find a simple relationship between the wFM, the oxygen rotation amplitude, and the ratio between the DM vector and the exchange parameter such that the wFM increases with the oxygen octahedra rotation when the SIA does not compete with the DM forces induced on the spins. Unexpectedly, we also find that in spite of the d5 electronic configuration of Fe~(3+), the SIA is very large in some structures and is surprisingly strongly sensitive to the chemistry of the A-site cation of the ABO3 perovskite. In the ground R3c state phase we show that the SIA shape induced by the ferroelectricity and the oxygen octahedra rotations are in competition such that it is possible to turn the wFM "on" and "off" through the relative size of the two types of distortion.
机译：通过密度泛函计算研究了钙钛矿结构的晶体畸变与磁交换相互作用，单离子各向异性（SIA）和Dzyaloshinsky-Moriya（DM）相互作用之间的联系。使用BiFeO_3和LaFeO_3作为模型系统，我们量化了氧八面体旋转，铁电和弱铁磁（wFM）之间的关系。我们恢复了wFM是由于氧气八面体旋转引起的DM相互作用的事实。我们发现wFM，氧气旋转幅度以及DM向量与交换参数之间的比率之间存在简单关系，使得当SIA不与自旋中感应的DM力竞争时，wFM随着氧气八面体旋转而增加。出乎意料的是，我们还发现，尽管Fe〜（3+）的电子结构为d5，但SIA在某些结构中非常大，并且对ABO3钙钛矿的A-位阳离子的化学反应非常敏感。在基态R3c状态下，我们表明，由铁电和氧八面体旋转引起的SIA形状相互竞争，因此可以通过两种畸变的相对大小来“打开”和“关闭” wFM。 。

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  • 来源
    《Physical review》 |2012年第9期|p.094413.1-094413.11|共11页
  • 作者

    Carlo Weingart; Nicola Spaldin; Eric Bousquet;

  • 作者单位

    Department of Materials, ETH Zurich, Wolfgang-Pauli-Strasse 27, CH-809 3 Zurich, Switzerland;

    Department of Materials, ETH Zurich, Wolfgang-Pauli-Strasse 27, CH-809 3 Zurich, Switzerland;

    Physique Theorique des Materiaux, Universite de Liege, B-4000 Sart Tilman, Belgium;

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  • 正文语种 eng
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  • 关键词

    magnetic anisotropy; manganites;

    机译：磁各向异性锰矿;

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