Electronic structure of Mn2O-: Ferromagnetic spin coupling stabilized by oxidation

Kensuke Tono, Akira Terasaki, Toshiaki Ohta, Tamotsu Kondow

Research output: Contribution to journalArticlepeer-review

7 Citations (Scopus)

Abstract

The electronic structure of Mn2O- was investigated by photoelectron spectroscopy and the density-functional theory (DFT). The cluster anion was found to possess a spin magnetic moment as large as 11 μB (Bohr magneton) due to ferromagnetic coupling between the spins localized on each manganese site. The ferromagnetic state gains substantial stability via superexchange-type interaction through an oxygen atom at the bridge site. This mechanism is manifested in its electronic structure, which exhibits significant hybridization among the Mn 3d, Mn 4s, and O 2p orbitals.

Original languageEnglish
Pages (from-to)374-378
Number of pages5
JournalChemical Physics Letters
Volume388
Issue number4-6
DOIs
Publication statusPublished - Apr 21 2004
Externally publishedYes

All Science Journal Classification (ASJC) codes

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

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