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Electronic structure of the metallic oxide ReO3

J. Falke, C. F. Chang, C. E. Liu, D. Takegami, A. Melendez-Sans, C.-S. Chen, L. Zhao, A. C. Komarek, C.-Y. Kuo, C. T. Chen, and L. H. Tjeng
Phys. Rev. B 103, 115125 – Published 15 March 2021

Abstract

We have investigated the electronic structure of the metallic oxide ReO3 using bulk-sensitive angle-resolved soft-x-ray and angle-integrated hard-x-ray photoelectron spectroscopy. We observed clear dispersions of the Re 5d- and O 2p-derived bands as well as the momentum splitting of the Fermi surface due to the Re 5d spin-orbit interaction. We found that density-functional-based band structure methods can provide an accurate description of the observed electronic states. To achieve the accuracy it was necessary to utilize hybrid functionals for the calculations.

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  • Received 16 November 2020
  • Accepted 23 February 2021

DOI:https://doi.org/10.1103/PhysRevB.103.115125

Published by the American Physical Society under the terms of the Creative Commons Attribution 4.0 International license. Further distribution of this work must maintain attribution to the author(s) and the published article's title, journal citation, and DOI. Open access publication funded by the Max Planck Society.

Published by the American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

J. Falke1, C. F. Chang1, C. E. Liu1,2, D. Takegami1, A. Melendez-Sans1, C.-S. Chen1,2,*, L. Zhao1, A. C. Komarek1, C.-Y. Kuo1,2,3, C. T. Chen3, and L. H. Tjeng1

  • 1Max Planck Institute for Chemical Physics of Solids, Nöthnitzer Straße 40, 01187 Dresden, Germany
  • 2Department of Electrophysics, National Yang Ming Chiao Tung University (NYCU), 1001 University Road, Hsinchu 30010, Taiwan
  • 3National Synchrotron Radiation Research Center (NSRRC), 101 Hsin-Ann Road, Hsinchu 30076, Taiwan

  • *Present address: College of Electrical Engineering and Computer Science, National Taiwan University, Taipei 10617, Taiwan.

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Vol. 103, Iss. 11 — 15 March 2021

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