Electronic structure of FeO, γ-Fe2 O3, and Fe3 O4 epitaxial films using high-energy spectroscopies

Juan Rubio-Zuazo, Ashish Chainani, Munetaka Taguchi, Daniel Malterre, Aida Serrano, German R. Castro

Research output: Contribution to journalArticlepeer-review

22 Citations (Scopus)

Abstract

We study the electronic structure of well-characterized epitaxial films of FeO (wustite), γ-Fe2O3 (maghemite), and Fe3O4 (magnetite) using hard x-ray photoelectron spectroscopy (HAXPES), x-ray absorption near-edge spectroscopy (XANES), and electron energy loss spectroscopy (EELS). We carry out HAXPES with incident photon energies of 12 and 15 keV in order to probe the bulk-sensitive Fe 1s and Fe 2p core level spectra. Fe K-edge XANES is used to characterize and confirm the Fe valence states of FeO, γ-Fe2O3, and Fe3O4 films. EELS is used to identify the bulk plasmon loss features. A comparison of HAXPES results with model calculations for an MO6 cluster provides us with microscopic electronic structure parameters such as the onsite Coulomb energy Udd, the charge-transfer energy Δ, and the metal-ligand hybridization strength V. The results also provide estimates for the ground-state and final-state contributions in terms of the dn, dn+1L 1, and dn+2L 2 configurations. Both FeO and γ-Fe2O3 can be described as charge-transfer insulators in the Zaanen-Sawatzky-Allen picture with Udd>Δ, consistent with earlier work. However, the MO6 cluster calculations do not reproduce an extra satellite observed in Fe 1s spectra of γ-Fe2O3 and Fe3O4. Based on simplified calculations using an M2O7 cluster with renormalized parameters, it is suggested that nonlocal screening plays an important role in explaining the two satellites observed in the Fe 1s core level HAXPES spectra of γ-Fe2O3 and Fe3O4.

Original languageEnglish
Article number235148
JournalPhysical Review B
Volume97
Issue number23
DOIs
Publication statusPublished - 2018 Jun 27

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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