An effect of the Zn3d-states on UV and X-ray spectra in ZnO

被引：11

作者：

Mikheeva, EP ^{[1
]}

Koscheev, SV ^{[1
]}

Ruzankin, SP ^{[1
]}

Zhidomirov, GM ^{[1
]}

Leontiev, SA ^{[1
]}

Devjatov, VG ^{[1
]}

Cherkashin, AE ^{[1
]}

机构：

[1] Russian Acad Sci, Boreskov Inst Catalysis SB, Novosibirsk 630090, Russia

来源：

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA | 1998年 / 94卷 / 1-2期

关键词：

photoelectron spectroscopy; zinc oxide; electronic structure; photon energy dependence; cluster calculations;

D O I：

10.1016/S0368-2048(98)00147-9

中图分类号：

O433 [光谱学];

学科分类号：

0703 ; 070302 ;

摘要：

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 02p valence band PES depends on the incident photon energy. On the basis of SCF X alpha-scattered waves (X alpha-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 I-O2p/I-Zn3d. 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. (C) 1998 Elsevier Science B.V. All rights reserved.

引用

页码：59 / 71

页数：13

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