Probing the conduction band edge of transition metal oxides by X-ray absorption spectroscopy

Research output: Contribution to journalArticle

Abstract

We present a comprehensive picture of how X-ray absorption spectroscopy (XAS) at the O 1s edge, supported by ob initio calculations, can be used to address the electronic properties of the conduction band edges of transition metal oxides. The compounds studied in order to illustrate the method are two of the most versatile transition metal oxides, ZrO2 and TiO2. Special attention is paid to the subtler aspects of the approach, discussing in more detail the kind of information provided and also possible shortcomings and complications. It is shown that the interpretation of the relationship between the Fermi level-referenced O 1s PES peak and the O 1s is XAS spectrum can change depending on the electronic properties of the material under study. In order to fully understand the PES-XAS relationship, supporting information from calculations is essential. (C) 2010 Elsevier B.V. All rights reserved.

Details

Authors
  • A. Sandell
  • B. Sanyal
  • L. E. Walle
  • Per Uvdal
  • A. Borg
Organisations
Research areas and keywords

Subject classification (UKÄ) – MANDATORY

  • Atom and Molecular Physics and Optics

Keywords

  • X-ray absorption spectroscopy, Transition metal oxides, Photoelectron, spectroscopy, Electronic structure, Ab initio calculations
Original languageEnglish
Pages (from-to)107-113
JournalJournal of Electron Spectroscopy and Related Phenomena
Volume183
Issue number1-3
Publication statusPublished - 2011
Publication categoryResearch
Peer-reviewedYes

Bibliographic note

The information about affiliations in this record was updated in December 2015. The record was previously connected to the following departments: Chemical Physics (S) (011001060)