Article Polarization-dependent Bulk-sensitive Valence Band Photoemission Spectroscopy and Density Functional Theory Calculations: Part IV. 4f Rare-earths

Shigenori Ueda SAMURAI ORCID (National Institute for Materials Science) ; Ikutaro Hamada

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Citation
Shigenori Ueda, Ikutaro Hamada. Polarization-dependent Bulk-sensitive Valence Band Photoemission Spectroscopy and Density Functional Theory Calculations: Part IV. 4f Rare-earths. Journal of the Physical Society of Japan. 2025, 94 (7), 074703. https://doi.org/10.7566/jpsj.94.074703

Description:

(abstract)

The valence band electronic structures of the elemental solids of 4f rare-earths (REs: La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, and Lu) were studied by bulk-sensitive polarization-dependent hard X-ray photoemission spectroscopy (HAXPES). Owing to the localized 4f electrons in REs, the valence band (VB) region showed complicated multiplet structures reflecting the 4f photoemission final states, except for La and Ce. The profiles of the 4f multiplet structures did not depend on the X-ray polarization. In contrast, the VB spectra, which mainly consisted of the 5d and 6s states, near the Fermi-level (EF) weakly depended on the X-ray polarization. The polarization-dependent VB spectra near EF for La and Lu were reproduced by the 5d and 6s partial densities of states, which were obtained from the density functional theory calculations for La and Lu, multiplied by photoionization cross-sections. The complicated multiplet structures were also observed in the 3d and 4d core-level HAXPES spectra via the exchange interaction between the core-hole and 4f electrons.

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Keyword: HAXPES, 4f rare-earths, valence band, core level, X-ray polarization

Date published: 2025-07-15

Publisher: Physical Society of Japan

Journal:

  • Journal of the Physical Society of Japan (ISSN: 13474073) vol. 94 issue. 7 074703

Funding:

  • Ministry of Education, Culture, Sports, Science and Technology JPMXP0112101001
  • Ministry of Education, Culture, Sports, Science and Technology JPMXP1122683430

Manuscript type: Publisher's version (Version of record)

MDR DOI:

First published URL: https://doi.org/10.7566/jpsj.94.074703

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Updated at: 2025-06-27 12:30:24 +0900

Published on MDR: 2025-06-27 12:23:19 +0900

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