| Literature DB >> 21770535 |
T O Wehling1, E Saşıoğlu, C Friedrich, A I Lichtenstein, M I Katsnelson, S Blügel.
Abstract
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 nonlocal 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 ϵ=2.5 in very good agreement with experiment.Entities:
Year: 2011 PMID: 21770535 DOI: 10.1103/PhysRevLett.106.236805
Source DB: PubMed Journal: Phys Rev Lett ISSN: 0031-9007 Impact factor: 9.161