Real-space multiple scattering method for angle-resolved photoemission and valence-band photoelectron diffraction and its application to Cu(111)

Krüger, P; Da Pieve, F; Osterwalder, J

doi:10.1103/PhysRevB.83.115437

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Krüger, P., Da Pieve, F., & Osterwalder, J. (2011). Real-space multiple scattering method for angle-resolved photoemission and valence-band photoelectron diffraction and its application to Cu(111). Physical Review. B, Condensed Matter and Materials Physics, 83(11), 115437. https://doi.org/10.1103/PhysRevB.83.115437

Abstract

A computational method is presented for angle-resolved photoemission spectra (ARPES) and photoelectron diffraction (PED) in the ultraviolet regime. The one-step model is employed and both initial valence and final continuum states are calculated using the finite-cluster, real-space multiple scattering method. Thereby the approach is versatile and provides a natural link to core-level PED. The method is applied to the Cu(111) valence band and good agreement with experiment is found for both ARPES spectra and PED patterns. When the PED