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 three-dimensional antiferromagnetically ordered structure with a semi-metallic electronic spectrum.
@article{arxiv.mtrl-th/9411004,
title = {Three-dimensional electronic instabilities in polymerized solid A1C60},
author = {S. C. Erwin and G. V. Krishna and E. J. Mele},
journal= {arXiv preprint arXiv:mtrl-th/9411004},
year = {2008}
}
Comments
REVTeX 3.0, 10 pages, 4 figures included as archive