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arxiv: 1101.4007 · v3 · pith:JIICLT2Knew · submitted 2011-01-20 · ❄️ cond-mat.mes-hall · cond-mat.mtrl-sci· cond-mat.str-el

Strength of effective Coulomb interactions in graphene and graphite

classification ❄️ cond-mat.mes-hall cond-mat.mtrl-scicond-mat.str-el
keywords coulombeffectivegrapheneinteractiongraphitestrengthagreementbackground
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To obtain an effective many-body model of graphene and related materials from first principles we calculate the partially screened frequency dependent Coulomb interaction. In graphene, the effective on-site (Hubbard) interaction is U_00 = 9.3 eV in close vicinity to the critical value separating conducting graphene from an insulating phase emphasizing the importance of non-local Coulomb terms. The nearest-neighbor Coulomb interaction strength is computed to U_01 = 5.5 eV. In the long wavelength limit, we find the effective background dielectric constant of graphite to be \epsilon = 2.5 in very good agreement with experiment.

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