Multiple-scattering calculations for 1s photoelectron angular distributions from single oriented molecules in the energy region above 50 eV

作者：Kazama Misato^*; Shinotsuka Hiroshi; Fujikawa Takashi; Stener Mauro; Decleva Piero; Adachi Jun ichi; Mizuno Tomoya; Yagishita Akira

来源：Journal of Electron Spectroscopy and Related Phenomena, 2012, 185(11): 535-545.

DOI：10.1016/j.elspec.2012.10.009

• Photoelectron angular distribution
• X-ray photoelectron diffraction
• Multiple-scattering theory
• Optical potential

1s photoelectron angular distributions from fixed-in-space CO2, NO2, BF3 and CH3F molecules have been calculated by X-ray photoelectron diffraction (XPD) theory with muffin-tin-type molecular potential. For all the molecules, the calculated results show good agreements with those by density functional theory in the energy region greater than or similar to 100 eV. Furthermore, for all the molecules experimental data on the angular distributions in such energy region are well reproduced by the XPD theory. These intensive studies lead to a rather general rule that the XPD theory is an adequate tool to describe high-energy photoelectron angular distributions for any single oriented molecules.

• 出版日期2012-11