16 December 1996 Theory of antiferromagnetism in C60-polymers: A1C60
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We study the antiferromagnetic phase of the C60-polymer doped with one electron per one C60 by using a tight-binding model with long-range Coulomb interactions. The model is solved by the unrestricted Hartree-Fock approximation, and a phase diagram is obtained by changing Coulomb interaction strengths and a conjugation parameter between C60 molecules. We find that the anti-ferromagnetism is well described by the present model. The comparison with the photoemission studies shows that the new band around the Fermi energy of the A1C60 phase can be explained by the extremely large intrusion of an energy level is to the gap of the neutral system. This indicates that the interaction effects among electrons are important in doped C60-polymers.
© (1996) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE). Downloading of the abstract is permitted for personal use only.
Kikuo Harigaya, Kikuo Harigaya, } "Theory of antiferromagnetism in C60-polymers: A1C60", Proc. SPIE 2854, Fullerenes and Photonics III, (16 December 1996); doi: 10.1117/12.262982; https://doi.org/10.1117/12.262982


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