Regensburg 2019 – wissenschaftliches Programm

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O: Fachverband Oberflächenphysik

O 78: Electronic Structure of Surfaces I: Photoelectron Spectroscopy

O 78.5: Vortrag

Donnerstag, 4. April 2019, 11:45–12:00, H14

The XPS limit within the one-step model of photoemission: temperature and photon energy effects — •Laurent Nicolaï¹, Vladimir Strocov², Juraj Krempaský², Federico Bisti², Charles Fadley³, Ajith Kaduwela⁴, and Ján Minár¹ — ¹Univiversity of West Bohemia, Plzeň, Czech Rep. — ²Paul Scherrer Institut, Villigen, Suisse — ³Berkeley, California, USA — ⁴University of California, USA

Angle-Resolved Photoemission Spectroscopy (ARPES) is the method of choice for characterising the electronic structure of a given material. A complete understanding of the experimental spectra requires theoretical analyses as well. However, the development of theoretical tools in order to reproduce experimental conditions remains, to this day, a challenge. Using the one-step model of photoemission[1] as implemented in the SPRKKR package[2], our calculations incorporate temperature- and phonon energy-dependent effects via inclusion of both bulk[3] and surface phonons. We also investigate the photon energy range over which the Angle-Integrated PhotoEmission (AIPES) spectra can be compared to the corresponding Weighed Density of States (WDOS).

[1] Braun, Rep. Prog. Phys. 59, 1267-1338 (1996), [2] H. Ebert, D. Ködderitzsch and J. Minár, Rep. on Prog. in Phys. 74, 096501 (2011), [3] L. Nicolaï and J. Minár, AIP Conf. Proc. 1996, 020033 (2018)