title: Dimer to monomer phase transition in alkali-metal fullerides: magnetic susceptibility changes
abstract: Ab initio calculations have been employed to investigate the peculiar change in magnetic property (from diamagnetic to paramagnetic) of the dianionic C60-dimer phase in a rapidly cooled AC60 samples ( A: alkali metal). We first note that the triplet state of (C60)-22 which was never considered previously is nearly degenerate with the singlet state, and the transition barrier between the two states is reasonably small. This explains the susceptibility increase with an increase in temperature and the magnetic phase transition in the process of the dimer to monomer phase transition.
authors.affiliation: National Creative Research Initiative Center for Superfunctional Materials, Department of Chemistry, Pohang University of Science and Technology, Pohang 790-784, Korea.
authors.initials: KS
authors.lastname: Kim
authors.initials: JM
authors.lastname: Park
authors.initials: J
authors.lastname: Kim
authors.initials: SB
authors.lastname: Suh
authors.initials: P
authors.lastname: Tarakeshwar
authors.initials: KH
authors.lastname: Lee
authors.initials: SS
authors.lastname: Park