...
  • 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>Physical review >Electronic structure of BiMO_3 multiferroics and related oxides
【24h】

Electronic structure of BiMO_3 multiferroics and related oxides

机译：BiMO_3多铁和相关氧化物的电子结构

获取原文
获取原文并翻译 | 示例
           
页面导航
  • 摘要
  • 著录项
  • 相似文献
  • 相关主题

摘要

We have performed a systematic study of the electronic structures of the BiMO_3 (M =Sc,Cr,Mn,Fe,Co,Ni) series by soft x-ray emission (XES) and x-ray absorption (XAS) spectroscopy. The band gaps were estimated for all compounds in the series. For BiFeO_3, a band gap of ～0.9 eV was obtained from the alignment of the O Kα XES and O 1s XAS. The O 1s XAS spectrum of BiNiO_3 indicates that the formation of holes was due to a Ni~(2+) valency rather than a Ni~(3+) valency. We have found that the O Kα XES and O 1s XAS, probing partially occupied and vacant O 2p states, respectively, are in agreement with the O 2p densities of states obtained from spin-polarized band-structure calculations for all BLMO_3 compounds addressed herein. The O Kα XES spectra show the same degree of Bi 6s-O 2p hybridization for all compounds in the series. We speculate herein that the stereochemical activity of the Bi 6s lone pairs must be supplemented with inversion symmetry breaking to allow electric polarization. For BiMnO_3 and BiFeO_3, two cases of multiferroic materials in this series, the former breaks the inversion symmetry due to the antiferromagnetic order induced by particular orbital ordering in the highly distorted perovskite structure and the latter has rhombohedral crystal structure without inversion symmetry.
机译：我们已经通过软X射线发射（XES）和X射线吸收（XAS）光谱学对BiMO_3（M = Sc，Cr，Mn，Fe，Co，Ni）系列电子结构进行了系统研究。估计该系列中所有化合物的带隙。对于BiFeO_3，通过OKαXES和O 1s XAS的比对获得了〜0.9 eV的带隙。 BiNiO_3的O 1s XAS光谱表明，空穴的形成是由于Ni〜（2+）价而不是Ni〜（3+）价。我们已经发现，分别探测部分被占据和空置的O 2p状态的OKαXES和O 1s XAS与针对本文所述的所有BLMO_3化合物从自旋极化能带结构计算获得的状态的O 2p密度一致。 OKαXES光谱显示该系列中所有化合物的Bi 6s-O 2p杂化程度相同。我们在此推测，Bi 6s孤对的立体化学活性必须以反对称对称性破坏来补充，以实现电极化。对于BiMnO_3和BiFeO_3，这两个系列的多铁性材料，前者由于在高畸变的钙钛矿结构中由特定轨道有序诱导的反铁磁有序而打破了反对称性，而后者具有菱形的晶体结构而没有反对称性。

著录项

  • 来源
    《Physical review》 |2010年第14期|144103.1-144103.10|共10页
  • 作者

    J. A. McLeod; Z. V. Pchelkina; L. D. Finkelstein; E. Z. Kurmaev; R. G. Wilks; A. Moewes; I. V. Solovyev; A. A. Belik; E. Takayama-Muromachi;

  • 作者单位

    Department of Physics and Engineering Physics, University of Saskatchewan, 116 Science Place, Saskatoon, Saskatchewan, Canada S7N 5E2;

    rnInstitute of Metal Physics, Ural Division, Russian Academy of Sciences, 620990 Yekaterinburg, Russia;

    rnInstitute of Metal Physics, Ural Division, Russian Academy of Sciences, 620990 Yekaterinburg, Russia;

    rnInstitute of Metal Physics, Ural Division, Russian Academy of Sciences, 620990 Yekaterinburg, Russia;

    rnDepartment of Physics and Engineering Physics, University of Saskatchewan, 116 Science Place, Saskatoon, Saskatchewan, Canada S7N 5E2;

    rnDepartment of Physics and Engineering Physics, University of Saskatchewan, 116 Science Place, Saskatoon, Saskatchewan, Canada S7N 5E2;

    rnInstitute of Metal Physics, Ural Division, Russian Academy of Sciences, 620990 Yekaterinburg, Russia Computational Materials Science Center, National Institute for Materials Science, 1-2-1 Sengen, Tsukuba, Ibaraki 305-0047, Japan;

    International Center for Materials Nanoarchitectonics (MANA), National Institute for Materials Science (NIMS), 1-1 Namiki, Tsukuba, Ibaraki 305-0044, Japan;

    rnInternational Center for Materials Nanoarchitectonics (MANA), National Institute for Materials Science (NIMS), 1-1 Namiki, Tsukuba, Ibaraki 305-0044, Japan;

  • 收录信息
  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类
  • 关键词

    other metals and alloys;

    机译：其他金属和合金;

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱：kefu@zhangqiaokeyan.com

京公网安备：11010802029741号 ICP备案号：京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有

  • 客服微信

  • 服务号