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  Electronic structure of Cu2O and CuO

Ghijsen, J., Tjeng, L. H., Vanelp, J., Eskes, H., Westerink, J., Sawatzky, G. A., et al. (1988). Electronic structure of Cu2O and CuO. Physical Review B, 38(16), 11322-11330. doi:10.1103/PhysRevB.38.11322.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-0019-1EC2-1 Version Permalink: http://hdl.handle.net/11858/00-001M-0000-0019-1EC4-E
Genre: Journal Article

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 Creators:
Ghijsen, J.1, Author
Tjeng, L. H.2, Author              
Vanelp, J.1, Author
Eskes, H.1, Author
Westerink, J.1, Author
Sawatzky, G. A.1, Author
Czyzyk, M. T.1, Author
Affiliations:
1external, ou_persistent22              
2External Organizations, ou_persistent22              

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 Abstract: 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 Cu2O 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 2p hybridization. From this we demonstrate that CuO is a charge-transfer gap insulator.

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 Dates: 1988-12-01
 Publication Status: Published in print
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Method: -
 Identifiers: ISI: A1988R274200039
DOI: 10.1103/PhysRevB.38.11322
 Degree: -

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Title: Physical Review B
  Other : Phys. Rev. B
Source Genre: Journal
 Creator(s):
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Publ. Info: Woodbury, NY : American Physical Society
Pages: - Volume / Issue: 38 (16) Sequence Number: - Start / End Page: 11322 - 11330 Identifier: ISSN: 1098-0121
CoNE: https://pure.mpg.de/cone/journals/resource/954925225008