Journal Article

PreJuSER-15682

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Strength of Effective Coulomb Interactions in Graphene and Graphite

Wehling, T. O. ; Sasioglu, E.FZJ* ; Friedrich, C.FZJ* ; Lichtenstein, A. I. ; Katsnelson, M. I. ; Blügel, S.FZJ*

2011
APS College Park, Md.

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Please use a persistent id in citations: http://hdl.handle.net/2128/7302  doi:10.1103/PhysRevLett.106.236805

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 is an element of = 2.5 in very good agreement with experiment.

Keyword(s): J

Note: Financial support by the Deutsche Forschungsgemeinschaft through FOR-912, FOR-1346, SFB 668, SPP 1145, SPP 1459, and FOM (The Netherlands) is acknowledged. T. O. W. is grateful to FZ Julich for hospitality during the visit, when parts of this work were conceived. One of us, S. B., thanks Achim Rosch for fruitful discussions.

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Contributing Institute(s):

1. Quanten-Theorie der Materialien (PGI-1)
2. Quanten-Theorie der Materialien (IAS-1)
3. Jülich-Aachen Research Alliance - Fundamentals of Future Information Technology (JARA-FIT)
4. Jülich Aachen Research Alliance - High-Performance Computing (JARA-HPC)

Research Program(s):

1. Grundlagen für zukünftige Informationstechnologien (P42)

Appears in the scientific report 2011

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