Three-dimensional electronic instabilities in polymerized solid A C 60

摘要: The low-temperature structure of A${\mathrm{C}}_{60}$ (A=K,Rb) is an ordered array polymerized ${\mathrm{C}}_{60}$ chains, with magnetic properties that suggest a nonmetallic ground state. We study the paramagnetic state this phase using first-principles electronic-structure methods, and examine fluctuations around model Hamiltonian. electronic even remain strongly three dimensional, favor unusual three-dimensional antiferromagnetically semimetallic spectrum.