An Effect of the Zn3d-States on UV and X-Ray Spectra in ZnO Full article
| Journal |
Journal of Electron Spectroscopy and Related Phenomena
ISSN: 0368-2048 , E-ISSN: 1873-2526 |
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| Output data | Year: 1998, Volume: 94, Number: 1-2, Pages: 59-71 Pages count : 13 DOI: 10.1016/S0368-2048(98)00147-9 | ||
| Tags | Cluster calculations, Electronic structure, Photoelectron spectroscopy, Photon energy dependence, Zinc oxide | ||
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Abstract:
The present study deals with ZnO photoelectronic spectra (PES) recorded at 1253.6 eV as well as within a wide photon energy range of 30–150 eV. It has been shown that the shape of the O2p valence band PES depends on the incident photon energy. On the basis of SCF Xα-scattered waves (Xα-SW) cluster approximation, the O2p valence band PES have been calculated in the given photon energy range. The changes in the O2p PES shape are proved to be caused by Zn3d electrons, which participate in the covalent binding along with Zn4s electrons. The percentage of the Zn3d-states was obtained on the basis of the quantum-chemical calculations and using the photon energy dependence of the integral intensity ratio IO2p/IZn3d. Based on this result, the ZnO stoichiometry and the concentration ratio profile [O]/[Zn] as a function of the escape depth have been calculated.
The weight of Zn3d-states, as evaluated from the photon energy dependence, is 9%. A theoretical prediction for this weight is 7%, which is very close to the experimental value.
Cite:
Mikheeva E.V.
, Koscheev S.V.
, Ruzankin S.F.
, Zhidomirov G.M.
, Leontiev S.A.
, Devjatov V.G.
, Cherkashin A.E.
An Effect of the Zn3d-States on UV and X-Ray Spectra in ZnO
Journal of Electron Spectroscopy and Related Phenomena. 1998. V.94. N1-2. P.59-71. DOI: 10.1016/S0368-2048(98)00147-9 WOS Scopus РИНЦ ANCAN OpenAlex
An Effect of the Zn3d-States on UV and X-Ray Spectra in ZnO
Journal of Electron Spectroscopy and Related Phenomena. 1998. V.94. N1-2. P.59-71. DOI: 10.1016/S0368-2048(98)00147-9 WOS Scopus РИНЦ ANCAN OpenAlex
Dates:
| Submitted: | Jul 2, 1997 |
| Accepted: | Jan 30, 1998 |
| Published print: | Jun 30, 1998 |
| Published online: | Dec 3, 1998 |
Identifiers:
| Web of science: | WOS:000074806800008 |
| Scopus: | 2-s2.0-0347808934 |
| Elibrary: | 13289211 |
| Chemical Abstracts: | 1998:471857 |
| Chemical Abstracts (print): | 129:195200 |
| OpenAlex: | W2007320620 |