Atomic cluster calculation of the X-ray near-edge absorption of copper

被引：4
|
作者：
Witte, C. [1 ]
Chantler, C. T. [1 ]
Cosgriff, E. C. [1 ]
Tran, C. Q. [1 ]
机构：
[1] Univ Melbourne, Sch Phys, Melbourne, Vic 3010, Australia
来源：
RADIATION PHYSICS AND CHEMISTRY | 2006年 / 75卷 / 11期
关键词：
XAFS; XANES; copper;
D O I：
10.1016/j.radphyschem.2005.07.018
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
The finite difference method for near-edge structure is used to calculate X-ray absorption near-edge structure (XANES) spectra. We extend the range of calculation for copper above the K-shell threshold and compare the results with recent experimental data in the X-ray absorption fine structure (XAFS) region. Qualitatively the calculation predicts the location of the peaks but fails to accurately describe relative amplitudes. (c) 2006 Elsevier Ltd. All rights reserved.
引用
收藏
页码：1582 / 1585
页数：4
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