Theoretical study of X-ray photoelectron diffraction for fixed-in-space CO molecules

Misato Kazama; Jun Ichi Adachi; Hiroshi Shinotsuka; Masakazu Yamazaki; Yusuke Ohori; Akira Yagishita; Takashi Fujikawa

doi:10.1016/j.chemphys.2010.04.038

Theoretical study of X-ray photoelectron diffraction for fixed-in-space CO molecules

Misato Kazama, Jun Ichi Adachi, Hiroshi Shinotsuka, Masakazu Yamazaki, Yusuke Ohori, Akira Yagishita, Takashi Fujikawa

Division of Measurements

Research output: Contribution to journal › Article › peer-review

17 Citations (Scopus)

Abstract

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 k=50-500eV. The forward scattering intensities gradually increase as a function of 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.

Original language	English
Pages (from-to)	261-266
Number of pages	6
Journal	Chemical Physics
Volume	373
Issue number	3
DOIs	https://doi.org/10.1016/j.chemphys.2010.04.038
Publication status	Published - 2010 Aug 3

Keywords

EXAFS
Fixed-in-space molecule
Multiple-scattering theory
XPD

ASJC Scopus subject areas

Physics and Astronomy(all)
Physical and Theoretical Chemistry

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10.1016/j.chemphys.2010.04.038

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abstract = "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 k=50-500eV. The forward scattering intensities gradually increase as a function of 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.",

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AU - Kazama, Misato

AU - Adachi, Jun Ichi

AU - Shinotsuka, Hiroshi

AU - Yamazaki, Masakazu

AU - Ohori, Yusuke

AU - Yagishita, Akira

AU - Fujikawa, Takashi

PY - 2010/8/3

Y1 - 2010/8/3

N2 - 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 k=50-500eV. The forward scattering intensities gradually increase as a function of 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.

AB - 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 k=50-500eV. The forward scattering intensities gradually increase as a function of 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.

KW - EXAFS

KW - Fixed-in-space molecule

KW - Multiple-scattering theory

KW - XPD

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JF - Chemical Physics

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Theoretical study of X-ray photoelectron diffraction for fixed-in-space CO molecules

Abstract

Keywords

ASJC Scopus subject areas

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