An experimental and theoretical investigation of the electronic structure of CdO

被引:76
作者
Dou, Y
Egdell, RG
Law, DSL
Harrison, NM
Searle, BG
机构
[1] Univ Oxford, Inorgan Chem Lab, Oxford OX1 3QR, England
[2] SERC, Daresbury Lab, Res Unit Surfaces Transforms & Interfaces, Warrington WA4 4AD, Cheshire, England
[3] SERC, Daresbury Lab, CCRC, Warrington WA4 4AD, Cheshire, England
关键词
D O I
10.1088/0953-8984/10/38/006
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
Photoemission spectra of polycrystalline CdO have been measured under excitation with monochromatic x-rays and with variable energy UV radiation from a synchrotron source. Experimental data are compared with density of states profiles calculated by periodic Hartree-Pock and density functional methods. Both calculations suggest that there is significant mixing between Cd 4d and O 2p states, but the Hartree-Fock calculations better reproduce the experimental O 2p to Cd 4d separation and the O 2p bandshape. Constant initial state profiles measured with variable photon energy in the range between 30 eV and 100 eV provide experimental evidence for O 2pCd 4d mixing.
引用
收藏
页码:8447 / 8458
页数:12
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