Three-dimensional electronic instabilities in polymerized solidAC60

S.C. Erwin, G.V. Krishna, E.J. Mele
1995 Physical Review B (Condensed Matter)  
The low-temperature structure of A1C60 (A=K, Rb) is an ordered array of polymerized C60 chains, with magnetic properties that suggest a non-metallic ground state. We study the paramagnetic state of this phase using first-principles electronic-structure methods, and examine the magnetic fluctuations around this state using a model Hamiltonian. The electronic and magnetic properties of even this polymerized phase remain strongly three dimensional, and the magnetic fluctuations favor an unusual
more » ... ee-dimensional antiferromagnetically ordered structure with a semi-metallic electronic spectrum.
doi:10.1103/physrevb.51.7345 pmid:9977309 fatcat:eyh5mg5qb5dktjj6tagtmcfwnu