Direct insight into the band structure of SrNbO3

Chiara Bigi*, Pasquale Orgiani, Jagoda Slawinska, Jun Fujii, John T. Irvine, Silvia Picozzi, Giancarlo Panaccione, Ivana Vobornik, Giorgio Rossi, David Payne, Francesco Borgatti

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

Abstract

We present the results of a photon energy and polarization dependent angle-resolved photoemission spectroscopy (ARPES) study on high quality, epitaxial SrNbO3 thin films prepared in situ by pulsed laser deposition (PLD). We show that the Fermi surface is composed of three bands mainly due to t2g orbitals of Nb 4d, in analogy with the 3d-based perovskite systems. The bulk band dispersion for the conduction and valence states obtained by density functional theory (DFT) is generally consistent with the ARPES data. The small discrepancy in the bandwidth close to the Fermi level seems to result from the interplay of correlation effects and the presence of vacancies. The ARPES results are complemented by soft x-ray photoemission spectroscopy measurements in order to provide indications on the chemical states and the stoichiometry of the material.
Original languageEnglish
Article number025006
Number of pages7
JournalPhysical Review Materials
Volume4
Issue number2
DOIs
Publication statusPublished - 27 Feb 2020

Keywords

  • Electronic structure
  • Angle-resolved photoemission spectroscopy
  • Density functional theory
  • Perovskite

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