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Updated: Dec 8, 2025

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Method of forming time-reversed LEED states from repeated-slab calculations
1Department of Physics, Faculty of Science, Ochanomizu University, 2-1-1 Otsuka, Bunkyo-ku, Tokyo 112-8610, Japan.
Abstract:
A method of forming time-reversed low-energy electron diffraction (LEED) states using results of repeated-slab calculations is presented. The time-reversed LEED states are used in calculations of the matrix elements of photoelectron spectroscopy. The method is applied to spin- and angle-resolved photoelectron spectroscopy of the Bi(111) surface. Calculations are performed for excitation from surface states by linearly polarized light. Calculated results reproduce spin average values measured as a function of polarization angle of light and explain the intensity asymmetry experimentally observed. Calculations for excitation by circularly polarized light are also performed, and relations of spin expectation values between linear and circularly polarized lights are discussed for systems with mirror symmetry.
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