TY - JOUR
T1 - Electronic structure of Mn2O-
T2 - Ferromagnetic spin coupling stabilized by oxidation
AU - Tono, Kensuke
AU - Terasaki, Akira
AU - Ohta, Toshiaki
AU - Kondow, Tamotsu
N1 - Funding Information:
The present study has been supported by the Special Cluster Research Project of Genesis Research Institute, Inc. K.T. acknowledges a research fellowship from the Japan Society for the Promotion of Science (JSPS).
PY - 2004/4/21
Y1 - 2004/4/21
N2 - 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.
AB - 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.
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U2 - 10.1016/j.cplett.2004.02.108
DO - 10.1016/j.cplett.2004.02.108
M3 - Article
AN - SCOPUS:1842840854
SN - 0009-2614
VL - 388
SP - 374
EP - 378
JO - Chemical Physics Letters
JF - Chemical Physics Letters
IS - 4-6
ER -