Filling dependence of the Mott transition in the degenerate Hubbard model

Journal Article · Wed Dec 15 00:00:00 EST 1999 · Physical Review. B, Condensed Matter and Materials Physics

DOI:https://doi.org/10.1103/PhysRevB.60.15714· OSTI ID:20217817

Koch, Erik ^[1]; Gunnarsson, Olle ^[2]; Martin, Richard M ^[3]

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1. Max-Planck-Institut fuer Festkoerperforschung, D-70506 Stuttgart, (Germany)
2. Max-Planck-Institut fuer Festkoeperforschung, D-70506 Stuttgart, (Germany)
3. Department of Physics, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801 (United States)

Describing the doped Fullerenes using a generalized Hubbard model, we study the Mott transition for different integer fillings of the t{sub 1u} band. We use the opening of the energy-gap E{sub g} as a criterion for the transition. E{sub g} is calculated as a function of the on-site Coulomb interaction U using fixed-node diffusion Monte Carlo. We find that for systems with doping away from half filling the Mott transitions occurs at smaller U than for the half-filled system. We give a simple model for the doping dependence of the Mott transition. (c) 1999 The American Physical Society.

• OSTI ID: 20217817
• Journal Information: Physical Review. B, Condensed Matter and Materials Physics, Vol. 60, Issue 23; Other Information: PBD: 15 Dec 1999; ISSN 1098-0121
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
HUBBARD MODEL
FULLERENES
DOPED MATERIALS
ENERGY GAP
ELECTRON-ELECTRON INTERACTIONS
MONTE CARLO METHOD
PHASE TRANSFORMATIONS
THEORETICAL DATA