A Faster Method of Photoelectron Intensity Calculation Based on Multiple Scattering Theory

Photoelectron momentum maps (PMMs) have the potential to reveal various physical properties of organic molecules adsorbed on the substrate. It has been reported that the multiple scattering theory may be required for precise analysis of the PMMs. However, simulation of the PMMs including the multipl...

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Bibliographic Details
Published in:E-journal of surface science and nanotechnology 2022/07/16, Vol.20(4), pp.252-256
Main Authors: Haniuda, Masato, Nozaki, Misa, Niki, Kaori
Format: Article
Language:English
Subjects:
Angle-resolved photoemission spectroscopy (ARPES)
Calculation
Computing time
Copper converters
Copper phthalocyanine
Metal phthalocyanines
Multiple scatter
Multiple scattering theory
Multiplication
Organic chemistry
Photoelectrons
Physical properties
Substrates
Citations: Items that this one cites
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Summary:Photoelectron momentum maps (PMMs) have the potential to reveal various physical properties of organic molecules adsorbed on the substrate. It has been reported that the multiple scattering theory may be required for precise analysis of the PMMs. However, simulation of the PMMs including the multiple scattering is computationally demanding, which makes the detailed analysis difficult. Here, we propose simple and efficient methods to evaluate the multiple scattering processes, by reducing the number of matrix multiplications. We applied the methods to a copper phthalocyanine molecule and show that the simulated PMMs converges in a few scattering processes with greatly reduced computational time as compared with the standard multiplication method.
ISSN:1348-0391
1348-0391
DOI:10.1380/ejssnt.2022-037