Quantum Monte Carlo calculations for integer-doped Fullerides

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dc.creatorKoch, Erik
dc.creatorGunnarsson, Olle
dc.creatorMartin, Richard M.
dc.date1998-04-06
dc.date.accessioned2026-07-07T03:10:16Z
dc.date.available2026-07-07T03:10:16Z
dc.descriptionThe doped Fullerides can be well described by a Hubbard model, which comprises the partly filled, threefold-degenerate t_1u orbital and the on-site Coulomb interaction U. The orbital degeneracy is known to shift the critical ratio U_c/W for the Mott-Hubbard transition towards larger values. This puts the half-filled alkali-doped Fullerides A_3 C_60 on the metallic side of the transition. Prompted by the recent synthesis of isostructural families of integer-doped Fullerides with different fillings, we investigate how the orbital degeneracy affects the Mott transition at integer fillings different from 3. The calculations are done by fixed-node diffusion Monte Carlo, using a trial function, which permits us to systematically vary the magnetic character of the system.
dc.description4 pages LaTeX, 2 eps figures included; additional information available at http://www.mpi-stuttgart.mpg.de/docs/ANDERSEN/fullerene/
dc.identifierhttps://arxiv.org/abs/cond-mat/9804059
dc.identifierhttp://arxiv.org/abs/cond-mat/9804059
dc.identifierProceedings of the IWEPNM97: Molecular Nanostructures, Eds. H. Kuzmany, J. Fink, M. Mehring, S. Roth, World Scientific, 1998, pp 235-238
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/28186
dc.subjectStrongly Correlated Electrons
dc.titleQuantum Monte Carlo calculations for integer-doped Fullerides
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