Magnetic proximity effects at a ferrite–5d-metal interface: GGA+U calculations

K. Knížek and Z. Jirák
Phys. Rev. B 108, 035145 – Published 24 July 2023

Abstract

We have studied spin polarization due to proximity effect at the interface of nonmagnetic 5d metal (Me = Ta, W, Re, Os, Ir, Pt, and Au) and ferrimagnetic conducting (mixed-valence) magnetite Fe3O4 or insulating maghemite γFe2O3 using ab initio electronic structure calculations. Four variants of chemical bonding at the interfaces have been modeled. It appears that the moments induced are oriented according to spin orientation of Fe ions to which Me atoms are bonded-parallel for the direct Fe-Me exchange path and antiparallel for the Fe-O-Me superexchange. The obtained densities of states show that notable spin polarization occurs only for Me atomic plane at very vicinity of the interface with the ferrite. The effect is maximum 0.2–0.3 μB for Pt, where slightly higher moment is induced by insulating γFe2O3. Among other metals the moment of 0.1μB is calculated for Ir. The moment induced in Ta is also relatively large 0.1μB, but with opposite sign and only in the case of Fe-Me bonding. The exceptional behavior of Pt can be associated with the position of its Fermi level (EF) near the edge of the wide 5d band at a local peak of density of states (spin-nonpolarized DOS = 6.2 eV1 per atom).

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  • Received 28 March 2023
  • Revised 17 June 2023
  • Accepted 13 July 2023

DOI:https://doi.org/10.1103/PhysRevB.108.035145

©2023 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

K. Knížek* and Z. Jirák

  • Institute of Physics of the CAS, Cukrovarnická 10, 162 00 Prague 6, Czech Republic

  • *Corresponding author: knizek@fzu.cz

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Issue

Vol. 108, Iss. 3 — 15 July 2023

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