ELECTRONIC-STRUCTURE OF CU2O AND CUO
ELECTRONIC-STRUCTURE OF CU2O AND CUO
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DOI：
10.1103/physrevb.38.11322
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发表时间：
1988-12-01
影响因子：
3.7
通讯作者：
CZYZYK, MT
中科院分区：
文献类型：
--
作者：
GHIJSEN, J;TJENG, LH;CZYZYK, MT
The electronic structure of copper oxides has been investigated by photoelectron (x-ray photoemission, ultraviolet photoemission), Auger electron, and bremsstrahlung isochromat spectroscopies. The experimental results are compared with one-electron band-structure calculations as well as with a cluster configuration interaction model. It is demonstrated that the results for Cu 2 O agree well with band theory, whereas those for CuO clearly show strong deviations which we argue are due to electron-correlation effects in the open-shell d bands. From the comparison to cluster calculations we extract values for the Cu d− d and O p− p Coulomb interactions, the O to Cu charge transfer energy, and the degree of Cu d− O 2 p hybridization. From this we demonstrate that CuO is a charge-transfer gap insulator.
