...
  • 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>Physical review >Electronic and magnetic properties of perovskite selenite and tellurite compounds: CoSeO_3, NiSeO_3, CoTeO_3, and NiTeO_3
【24h】

Electronic and magnetic properties of perovskite selenite and tellurite compounds: CoSeO_3, NiSeO_3, CoTeO_3, and NiTeO_3

机译：钙钛矿亚硒酸盐和亚碲酸盐化合物的电子和磁性：CoSeO_3，NiSeO_3，CoTeO_3和NiTeO_3

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

Selenium and tellurium are among the few elements that form ABO}, perovskite structures with a four valent ion in the A site. This leads to highly distorted structures and unusual magnetic behavior. Here we investigate the Co and Ni selenite and tellurite compounds, CoSeO_3, CoTeO_3, NiSeO_3, and NiTeO_3, using first principles calculations. We find an interplay of crystal field and Jahn-Teller distortions that underpin the electronic and magnetic properties. While all compounds are predicted to show an insulating G-type antiferromagnetic ground state, there is a considerable difference in the anisotropy of the exchange interactions between the Ni and Co compounds. This is related to the Jahn-Teller distortion. Finally, we observe that these four compounds show characteristics generally associated with Mott insulators, even when described at the level of standard density functional theory. These are then dense bulk insulators that are correctly described as insulators in a standard band structure picture but that satisfy the common experimental criteria to classify them as Mott-type insulators.
机译：硒和碲是形成ABO}的少数元素，钙钛矿结构在A位点具有四价离子。这导致高度变形的结构和异常的磁行为。在这里，我们使用第一原理计算方法研究了Co和Ni亚硒酸盐和亚碲酸盐化合物CoSeO_3，CoTeO_3，NiSeO_3和NiTeO_3。我们发现了晶场和Jahn-Teller畸变的相互作用，它们是电子和磁性的基础。虽然预计所有化合物都显示出绝缘的G型反铁磁基态，但Ni和Co化合物之间交换相互作用的各向异性存在很大差异。这与Jahn-Teller失真有关。最后，我们观察到，即使在标准密度泛函理论的水平上进行描述，这四种化合物也显示出通常与Mott绝缘子相关的特性。这些是密​​集的块状绝缘子，在标准能带结构图中正确地描述为绝缘子，但满足将它们归类为Mott型绝缘子的通用实验标准。

著录项

  • 来源
    《Physical review》 |2020年第4期|045107.1-045107.7|共7页
  • 作者

    A. Rafi M. Iasir; Todd Lombardi; Qiangsheng Lu; Amir M. Mofrad; Mitchel Vaninger; Xiaoqian Zhang; David J. Singh;

  • 作者单位

    Nuclear Engineering Program University of Missouri Columbia Missouri 65211 USA;

    Department of Physics and Astronomy University of Missouri Columbia Missouri 65211-7010 USA;

    Department of Biomedical Biological and Chemical Engineering University of Missouri Columbia Missouri 65211 USA;

    Department of Physics and Astronomy University of Missouri Columbia Missouri 65211-7010 USA Jiangsu Provincial Key Laboratory of Advanced Photonic and Electronic Materials Collaborative Innovation Center of Advanced Microstructures School of Electronic Science and Engineering Nanjing University Nanjing 210093 China;

    Department of Physics and Astronomy University of Missouri Columbia Missouri 65211-7010 USA Department of Chemistry University of Missouri Columbia Missouri 65211 USA;

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

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