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Theory of Soft X-Ray Resonant Photoemission in d and f Electron Systems

d 和 f 电子系统中软 X 射线共振光电发射理论

基本信息

批准号：
06640479
负责人：
JO Takeo
金额：
$ 0.96万
依托单位：
HIROSHIMA UNIVERSITY
依托单位国家：
日本
项目类别：
Grant-in-Aid for General Scientific Research (C)
财政年份：
1994
资助国家：
日本
起止时间：
1994 至 1995
项目状态：
已结题

来源：
https://kaken.nii.ac.jp/en/grant/KAKENHI-PROJECT-06640479/
关键词：
Resonant photoemisson Resonant inverse photoemission Cerium compounds Rare earths Transiton metals The Anderson model Multipcle interaction mixed valence 強磁性ニッケル 6eVサテライト

项目摘要

1. We have calculated the resonant 3d, 3p and 3s photoemission spectra (3d PES,3p PES and 3s PES,respectively) of 3d transition metal monoxides from Cu to Mn, TiO_2 and ferromagnetic Ni at 2p core threshold on the basis of a cluster model including the full multiplet. The charge transfer energy and the interatomic transfer integrals, which are important paramenters of the model, are determined for the oxides by an analysis of experiments without ambiguity. For Ni, we investigate the incident photon energy dependence of the spin polarization of the 6 eV satellite in 3d PES and its meaning. The spin polarization of 3p and 3s PES is found to reflect well the many-body 3d configuration of Ni.2. We have analyzad the recently observed resonant inverse photoemission spectra (IPES) for CeNi_2 and CeRh_3 at the Ce 3d threshold on the basis of the Anderson impurity model including the full multiplet. As a result, the 4f-ligand hopping integral in the presence of 3d core hole must be considerably reduced from that in the absence of the core hole and its configuration dependence is very important to analyze various core level spectra. The calculation is extended to 4f, 5p and 5s PES at the 3d and 4d core threshold, resonant X-ray emission spectra and IPES at the 3d core threshold from trivalent Ce to Tm ions and we showed that these 2nd order processes are very useful in identifying the character of the final state contributing to the spectra.

1.基于包含全多重态的团簇模型，我们计算了从Cu到Mn、TiO_2和铁磁Ni的3d过渡金属一氧化物在2p核心阈值处的共振3d、3p和3s光电子发射光谱（分别为3d PES、3p PES和3s PES）。氧化物的电荷转移能量和原子间转移积分是模型的重要参数，通过实验分析明确确定。对于 Ni，我们研究了 3d PES 中 6 eV 卫星自旋极化的入射光子能量依赖性及其含义。发现3p和3s PES的自旋极化能够很好地反映Ni.2的多体3d构型。我们基于包含完整多重态的安德森杂质模型，分析了最近观察到的 CeNi_2 和 CeRh_3 在 Ce 3d 阈值下的共振逆光电发射光谱 (IPES)。因此，存在 3d 核心孔时的 4f 配体跳跃积分必须比不存在核心孔时显着降低，并且其构型依赖性对于分析各种核心级光谱非常重要。计算扩展到 3d 和 4d 核心阈值处的 4f、5p 和 5s PES、共振 X 射线发射光谱和 3d 核心阈值处从三价 Ce 到 Tm 离子的 IPES，我们表明这些二阶过程对于识别对光谱有贡献的最终状态的特征非常有用。