Valence-transition-induced changes of the electronic structure in EuPd2Si2

  • We present results of hard X-ray angle-resolved photoemission spectroscopy and photoemission diffraction measurements performed on high-quality single crystals of the valence transition compound EuPd2Si2 for temperatures 25~K ≤ T ≤ 300~K. At low temperatures we observe a Eu 4f valence v=2.5, % occupation number n=6.5, which decreases to v=2.1 for temperatures above the valence transition around TV≈160~K. The experimental valence numbers resulting from an evaluation of the Eu(III)/Eu(II) 3d core levels, are used for calculating band structures using density functional theory. The valence transition significantly changes the band structure as determined by angle-resolved photoemission spectroscopy. In particular, the Eu 5d valence bands are shifted to lower binding energies with increasing Eu 4f occupancy. To a lesser extent, bands derived from the Si 3p and Pd 4d orbitals are also affected. This observation suggests a partial charge transfer between Eu and Pd/Si sites. Comparison with {\it ab-initio} theory shows a good agreement with experiment, in particular concerning the unequal band shift with increasing Eu 4f occupancy.

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Author:Olena FedchenkoORCiD, Young-Joon SongORCiD, Olena TkačORCiDGND, Yaryna LytvynenkoORCiD, Sergii ChernovGND, Andrei GloskovskiiGND, Christoph SchlueterGND, Marius PetersGND, Kristin KliemtORCiD, Cornelius KrellnerORCiDGND, Roser ValentíORCiDGND, Gerd SchönhenseORCiD, Hans-Joachim ElmersORCiDGND
URN:urn:nbn:de:hebis:30:3-824386
URL:https://arxiv.org/abs/2310.06421v1
DOI:https://doi.org/10.48550/arXiv.2310.06421
ArXiv Id:http://arxiv.org/abs/2310.06421v1
Parent Title (English):arXiv
Publisher:arXiv
Document Type:Preprint
Language:English
Date of Publication (online):2023/10/10
Date of first Publication:2023/10/10
Publishing Institution:Universitätsbibliothek Johann Christian Senckenberg
Release Date:2024/02/19
Issue:2310.06421 Version 1
Edition:Version 1
Page Number:8
HeBIS-PPN:516154680
Institutes:Physik / Physik
Dewey Decimal Classification:5 Naturwissenschaften und Mathematik / 53 Physik / 530 Physik
Sammlungen:Universitätspublikationen
Licence (German):License LogoCreative Commons - Namensnennung 4.0