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Valence-band electronic structure of CdO, ZnO, and MgO from x-ray photoemission spectroscopy and quasi-particle-corrected density-functional theory calculations
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King, P. D. C., Veal, T. D. (Tim D.), Schleife, A., Zuniga-Perez, J., Martel, B., Jefferson, P. H., Fuchs, F., Munoz-Sanjose, V., Bechstedt, F. and McConville, C. F.. (2009) Valence-band electronic structure of CdO, ZnO, and MgO from x-ray photoemission spectroscopy and quasi-particle-corrected density-functional theory calculations. Physical Review B (Condensed Matter and Materials Physics), Vol.79 (No.20). Article no. 205205. ISSN 1098-0121
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Official URL: http://dx.doi.org/10.1103/PhysRevB.79.205205
Abstract
The valence-band density of states of single-crystalline rock-salt CdO(001), wurtzite c-plane ZnO, and rock- salt MgO(001) are investigated by high-resolution x-ray photoemission spectroscopy. A classic two-peak structure is observed in the VB-DOS due to the anion 2p-dominated valence bands. Good agreement is found between the experimental results and quasi-particle-corrected density-functional theory calculations. Occupied shallow semicore d levels are observed in CdO and ZnO. While these exhibit similar spectral features to the calculations, they occur at slightly higher binding energies, determined as 8.8 eV and 7.3 eV below the valence band maximum in CdO and ZnO, respectively. The implications of these on the electronic structure are discussed.
| Item Type: | Journal Article |
|---|---|
| Subjects: | Q Science > QC Physics |
| Divisions: | Faculty of Science > Physics |
| Journal or Publication Title: | Physical Review B (Condensed Matter and Materials Physics) |
| Publisher: | American Physical Society |
| ISSN: | 1098-0121 |
| Date: | May 2009 |
| Volume: | Vol.79 |
| Number: | No.20 |
| Number of Pages: | 6 |
| Page Range: | Article no. 205205 |
| Identification Number: | 10.1103/PhysRevB.79.205205 |
| Status: | Peer Reviewed |
| Publication Status: | Published |
| Access rights to Published version: | Restricted or Subscription Access |
| Funder: | Engineering and Physical Sciences Research Council (EPSRC), NCESS, Spanish Government, Deutsche Forschungsgemeinschaft (DFG) |
| Grant number: | EP/E031595/1 (EPSRC), EP/E025722/1 (EPSRC), MAT2007-66129, Be1346/20-1 |
| URI: | http://wrap.warwick.ac.uk/id/eprint/27829 |
Data sourced from Thomson Reuters' Web of Knowledge
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