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Role of on-site Coulomb interactions in the half-metallic Weyl ferromagnet candidate thin-film Co2FeSi

Kazuki Sumida1,*, Yuichi Fujita2, Weinan Zhou2, Keisuke Masuda2, Ikuto Kawasaki1, Shin-ichi Fujimori1, Akio Kimura3,4, and Yuya Sakuraba2,†

  • 1Materials Sciences Research Center, Japan Atomic Energy Agency, Hyogo 679-5148, Japan
  • 2Research Center for Magnetic and Spintronic Materials, National Institute for Materials Science, Sengen 1-2-1, Tsukuba 305-0047, Japan
  • 3Graduate School of Advanced Science and Engineering, Hiroshima University, 1-3-1 Kagamiyama, Higashi-Hiroshima 739-8526, Japan
  • 4International Institute for Sustainability with Knotted Chiral Meta Matter (SKCM2), 1-3-1 Kagamiyama, Higashi-Hiroshima 739-8526, Japan

  • *Present address: Hiroshima Synchrotron Radiation Center, Hiroshima University, 2-313 Kagamiyama, Higashi-Hiroshima 739-0046, Japan; sumidak1126@hiroshima-u.ac.jp
  • †SAKURABA.Yuya@nims.go.jp

Phys. Rev. B 108, L241101 – Published 1 December, 2023

DOI: https://doi.org/10.1103/PhysRevB.108.L241101

Abstract

We investigated the element-specific electronic structure of a half-metallic Weyl ferromagnet candidate Co2FeSi film by utilizing soft-x-ray resonant photoelectron spectroscopy and first-principles calculations with and without considering an on-site Coulomb interaction. An Fe 2p−3d resonant photoelectron experiment revealed that the Fe 3d states exist around 2 and 4 eV below the Fermi energy. Our calculations, based on the generalized gradient approximation without considering a Coulomb interaction at the Fe site, successfully reproduced the experimentally observed Fe 3d partial density of states. Our findings shed light on the highly controversial correlation effect of Co2FeSi, offering valuable insights into its half metallicity and Weyl semimetallicity.

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