Relative core level shifts in XPS: a theoretical study

被引：20

作者：

Cole, RJ ^{[1
]}

Macdonald, BF

Weightman, P

机构：

[1] Univ Edinburgh, Ctr Mat Sci & Engn, Dept Phys & Astron, Edinburgh EH9 3JZ, Midlothian, Scotland

[2] Univ Liverpool, Surface Sci Res Ctr, Liverpool L69 3BX, Merseyside, England

来源：

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA | 2002年 / 125卷 / 02期

关键词：

XPS; chemical shifts;

D O I：

10.1016/S0368-2048(02)00084-1

中图分类号：

O433 [光谱学];

学科分类号：

0703 ; 070302 ;

摘要：

The commonly used assumption that all core levels exhibit the same chemical shift is examined using Dirac-Fock electronic structure calculations for a wide range of free atoms and ions. In contrast to experimental results for molecules and solids, the calculated core level shifts are found to be almost uniform. The role of the Madelung potential in exaggerating relative core level shifts in solids and molecules is discussed. Calculated results are found to agree well with the most reliable experimental data. (C) 2002 Elsevier Science B.V. All rights reserved.

引用

页码：147 / 152

页数：6

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