화학공학소재연구정보센터
Chemical Physics Letters, Vol.388, No.4-6, 374-378, 2004
Electronic structure of Mn2O-: ferromagnetic spin coupling stabilized by oxidation
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 mug (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 0 2p orbitals. (C) 2004 Elsevier B.V. All rights reserved.