...
首页> 外文期刊>Physical review >Momentum space anisotropy of electronic correlations in Fe and Ni: An analysis of magnetic Compton profiles
【24h】

Momentum space anisotropy of electronic correlations in Fe and Ni: An analysis of magnetic Compton profiles

机译:Fe和Ni中电子相关的动量空间各向异性:磁康普顿分布图的分析

获取原文
获取原文并翻译 | 示例
           

摘要

The total and magnetically resolved Compton profiles are analyzed within the combined density functional and dynamical mean-field theory for the transition-metal elements Fe and Ni. A rather good agreement between the measured and computed magnetic Compton profiles of Fe and Ni is obtained with the standard local spin-density approximation (LSDA). By including local but dynamic many-body correlations captured by dynamical mean-field theory (DMFT), the calculated magnetic Compton profile is further improved when compared with experiment. The second moment of the difference of the total Compton profiles between the LSDA and DMFT, along the same momentum direction, has been used to discuss the strength of electronic correlations in Fe and Ni.
机译:在过渡金属元素Fe和Ni的密度泛函和动力学平均场理论相结合的基础上,分析了全部和磁性解析的康普顿轮廓。使用标准的局部自旋密度近似(LSDA),可以在Fe和Ni的测量和计算的磁性Compton分布图之间获得相当好的一致性。通过包含由动态平均场理论(DMFT)捕获的局部但动态的多体相关性,与实验相比,所计算的磁性康普顿轮廓得到了进一步的改善。沿着相同的动量方向,LSDA和DMFT之间的总Compton轮廓之差的第二个矩已用于讨论Fe和Ni中电子相关的强度。

著录项

  • 来源
    《Physical review》 |2014年第9期|094425.1-094425.9|共9页
  • 作者单位

    Theoretical Physics Ⅲ , Center for Electronic Correlations and Magnetism, Institute of Physics, University of Augsburg, D-86135 Augsburg, Germany,Augsburg Center for Innovative Technologies, University of Augsburg, D-86135 Augsburg, Germany;

    Theoretical Physics Ⅲ, Center for Electronic Correlations and Magnetism, Institute of Physics, University of Augsburg, D-86135 Augsburg, Germany,Faculty of Physics, Babes-Bolyai University, Kogalniceanu Str. 1, RO-400084 Cluj-Napoca, Romania;

    Chemistry Department, Munich University, Butenandstrasse 5-13, D-81377 Muenchen, Germany;

    Department of Physics and Astronomy, Division of Materials Theory, Uppsala University, Box 516, SE-75120 Uppsala, Sweden;

    Chemistry Department, Munich University, Butenandstrasse 5-13, D-81377 Muenchen, Germany,New Technologies-Research Center, University of West Bohemia, Univerzitni 8,306 14 Pilsen, Czech Republic;

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

    density functional theory, local density approximation, gradient and other corrections;

    机译:密度泛函理论;局部密度近似;梯度和其他校正;

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