Chemically induced ferromagnetic spin coupling: Electronic and geometric structures of chromium-oxide cluster anions, Cr2O-n (N= 1-3), studied by photoelectron spectroscopy

Kensuke Tono, Akira Terasaki, Toshiaki Ohta, Tamotsu Kondow

Research output: Contribution to journalArticle

27 Citations (Scopus)

Abstract

Photoelectron-spectroscopy experiment combined with the GGA-level DFT calculations revealed that the antiferromagnetic Cr-Cr spin coupling in Cr2- is altered to ferromagnetic one upon oxidation into Cr2On- (n=1-3). The ferromagnetic spin coupling originates predominantly from a superexchange-type interaction through oxygen atoms bridging the two chromium atoms.

Original languageEnglish
Pages (from-to)11221-11227
Number of pages7
JournalJournal of Chemical Physics
Volume119
Issue number21
DOIs
Publication statusPublished - Dec 1 2003
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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