Mott Transition in Degenerate Hubbard Models: Application to Doped Fullerenes

2); 2) ((1) Max-Planck-Institut f\"ur Festk\"orperforschung; (2)_Department of Physics; Erik Koch (1; Olle Gunnarsson (1); Richard M. Martin (1; Stuttgart; University of Illinois; Urbana-Champaign)

arxiv: cond-mat/9608107 · v1 · submitted 1996-08-23 · ❄️ cond-mat

Mott Transition in Degenerate Hubbard Models: Application to Doped Fullerenes

Olle Gunnarsson (1) , Erik Koch (1 , 2) , Richard M. Martin (1 , 2) ((1) Max-Planck-Institut f\"ur Festk\"orperforschung , Stuttgart , (2)_Department of Physics , University of Illinois

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Urbana-Champaign)

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keywords transitionmott-hubbarddopedfullereneshubbardmonte-carloapplicationarguments

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The Mott-Hubbard transition is studied for a Hubbard model with orbital degeneracy N, using a diffusion Monte-Carlo method. Based on general arguments, we conjecture that the Mott-Hubbard transition takes place for U/W \propto \sqrt{N}, where U is the Coulomb interaction and W is the band width. This is supported by exact diagonalization and Monte-Carlo calculations. Realistic parameters for the doped fullerenes lead to the conclusion that stoichiometric A_3 C_60 (A=K, Rb) are near the Mott-Hubbard transition, in a correlated metallic state.

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Mott Transition in Degenerate Hubbard Models: Application to Doped Fullerenes

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