Theoretical study of X-ray photoelectron diffraction for fixed-in-space CO molecules
Theoretical study of X-ray photoelectron diffraction for fixed-in-space CO molecules
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DOI：
10.1016/j.chemphys.2010.04.038
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发表时间：
2010-08-03
期刊：
影响因子：
2.3
通讯作者：
Fujikawa, Takashi
中科院分区：
文献类型：
--
作者：
Kazama, Misato;Adachi, Jun-ichi;Fujikawa, Takashi
本文用全多重散射公式计算了光电子动能在50-500 eV范围内，1 s光电子从空间固定的CO分子中的衍射花样。前向散射强度作为λ（k）的函数逐渐增加，而后向散射强度振荡。它已被证明，向后振荡结构的计算考虑到双散射收敛到那些充分的多散射计算。本文对振荡结构的分析与EXAFS的分析既有相似之处，也有不同之处。(C)2010年爱思唯尔B。版权所有© 2016
Diffraction patterns of 1s photoelectrons from fixed-in-space CO molecules have been calculated using full multiple-scattering formula in photoelectron kinetic energy region of epsilon(k) 50-500 eV. The forward scattering intensities gradually increase as a function of epsilon(k), whereas the backward scattering intensities oscillate. It has been shown that the backward oscillating structures in calculations taking into up to double scattering converge into those of full multiple-scattering calculations. The present analyses of the oscillating structures show the similarity and difference with those of EXAFS. (C) 2010 Elsevier B. V. All rights reserved.