Electron energy-loss spectroscopy of the O K edge of NbO2, MoO2, and WO2

Nan Jiang, John Spence

Research output: Contribution to journalArticlepeer-review

26 Scopus citations

Abstract

Experimental high-energy transmission electron energy-loss absorption spectra from the oxygen K edges of NbO2, MoO2, and WO 2 are compared with electronic structure calculations for the relevant empty states, based on the linear augmented plane wave (plus local orbital) method, in the local density approximation. These are also compared with calculations for an idealized rutile structure. The agreement of these ground-state density functional theory calculations (without core-hole effects) for these transition metal dioxides at our resolution of about 1 eV is excellent, and shows in each case an underlying structure consisting of five main peaks, despite differences in local atomic and electronic structure. We find also that shoulderlike features on an eg peak can be related to structural distortions induced by the formation of metal-metal bonds.

Original languageEnglish (US)
Article number245117
Pages (from-to)1-7
Number of pages7
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume70
Issue number24
DOIs
StatePublished - Dec 2004

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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