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首页> 外文期刊>Physical review >Symmetry-breaking 60°-spin order in the A-site-ordered perovskite LaMn_3V_4O_(12)
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Symmetry-breaking 60°-spin order in the A-site-ordered perovskite LaMn_3V_4O_(12)

机译:在A部位订购的钙钛矿LaMn_3V_4O_(12)中打破对称的60°旋转顺序

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摘要

The magnetism of the A-site-ordered perovskite LaMn_3V_4O_(12) is studied comprehensively by means of neutron powder diffraction experiments and theoretical calculations. Magnetic neutron diffraction results show that a rhombohedral 60° spin structure emerges on the cubic lattice below a 44-K Neel transition. Ab initio electronic structure calculations confirm that high-spin Mn~(2+) moments are localized while V 3d-band states are itinerant, and that the noncollinear 60° spin structure is more stable than collinear ferromagnetic or G-type antiferromagnetic alternatives. Effective Heisenberg model calculations reveal that the appearance of such a nontrivial spin structure can be attributed to significant next-nearest-neighbor and third-nearest-neighbor magnetic interactions.
机译:通过中子粉末衍射实验和理论计算,综合研究了A位定序钙钛矿LaMn_3V_4O_(12)的磁性。磁中子衍射结果表明,菱形六面体自旋结构出现在44 K Neel转变以下的立方晶格上。从头开始的电子结构计算证实,高自旋Mn〜(2+)磁矩位于局部,而V 3d波段状态呈迭代,并且非共线60°自旋结构比共线铁磁或G型反铁磁替代品更稳定。有效的海森堡模型计算表明,这种非平凡的自旋结构的出现可归因于显着的下一近邻和第三近邻磁相互作用。

著录项

  • 来源
    《Physical review》 |2014年第21期|214405.1-214405.6|共6页
  • 作者单位

    Institute for Chemical Research, Kyoto University, Uji, Kyoto 611-0011, Japan;

    Institute of Scientific and Industrial Research, Osaka University, 8-1, Mihogaoka, Ibaraki, Osaka 567-0047, Japan,Japan Science and Technology Agency, CREST, Gobancho, Chiyoda-ku, Tokyo, 102-0076, Japan;

    Institut Laue-Langevin, BP 156, F-38042, Grenoble Cedex 9, France;

    Institute for Chemical Research, Kyoto University, Uji, Kyoto 611-0011, Japan;

    Institute of Scientific and Industrial Research, Osaka University, 8-1, Mihogaoka, Ibaraki, Osaka 567-0047, Japan,Japan Science and Technology Agency, CREST, Gobancho, Chiyoda-ku, Tokyo, 102-0076, Japan;

    Centre for Science at Extreme Conditions and School of Chemistry, University of Edinburgh, Mayfield Road, Edinburgh EH9 3JZ, United Kingdom;

    Institute for Chemical Research, Kyoto University, Uji, Kyoto 611-0011, Japan,Japan Science and Technology Agency, CREST, Gobancho, Chiyoda-ku, Tokyo, 102-0076, Japan;

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  • 正文语种 eng
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  • 关键词

    electron density of states and band structure of crystalline solids; exchange and superexchange interactions;

    机译:态固体的电子态密度和能带结构;交换和超交换交互;

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