Synchrotron bulk photoemission data from Au(111) and DFT calculations

DOI10.5281/zenodo.7305241Zenodo7305241MaRDI QIDQ6719144FDOQ6719144

Dataset published at Zenodo repository.

Marco Bianchi, Philip Hofmann, MacIej Dendzik, R. Patrick Xian, Martin Wolf, Ralph Ernstorfer, Laurenz Rettig

Publication date: 11 November 2022

Copyright license: Creative Commons Attribution 4.0 International

Description

Extreme UV photoemission band mapping of Au(111) surface and bulk.Measurements were conducted at the SGM-3 beamline of the 3rd-generation ASTRID2 synchrotron radiation source in Aarhus, Denmark with a photon energy of 80 eV. The gold sample was purchased from MaTecK GmbH with a (111) surface.The sample temperature was maintained at 100 K during measurements. Experimental data are provided in ibw format (Igor Pro),HDF5, and TIFF format along with calibrated energy. Density functional theory calculations were carried out using GPAW1.31 code using GLLBSC pseudopotentials.The valence electrons were described with plane-wave basis sets with a kinetic energy threshold of 600 eV and reciprocal space was sampled with a (12x12x1) mesh of k-points.

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