Strength of Effective Coulomb Interactions in Graphene and Graphite

Wehling, T. O.; Şaşıoğlu, E.; Friedrich, Christoph; Lichtenstein, A. I.; Katsnelson, M. I.; Blügel, Stefan

doi:10.1103/physrevlett.106.236805

Cited by 553 publications

(632 citation statements)

References 40 publications

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“…The screened Coulomb interaction in monolayer graphene is over the whole r range bigger than the corresponding values of bilayer graphene, graphite, and Ir In agreement with Ref. 16, we find sizeable nonlocal effective Coulomb interactions for graphene, bilayer graphene and graphite, which can be however strongly reduced due to screening by the environment. This can be seen from comparison to the Gr/Ir case.…”

Section: Coulomb Interactions In Real Spacesupporting

confidence: 74%

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Wannier function approach to realistic Coulomb interactions in layered materials and heterostructures

Rösner¹,

Şaşıoğlu²,

Friedrich³

et al. 2015

Phys. Rev. B

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We introduce an approach to derive realistic Coulomb interaction terms in free standing layered materials and vertical heterostructures from ab-initio modelling of the corresponding bulk materials. To this end, we establish a combination of calculations within the framework of the constrained random phase approximation, Wannier function representation of Coulomb matrix elements within some low energy Hilbert space and continuum medium electrostatics, which we call Wannier function continuum electrostatics (WFCE). For monolayer and bilayer graphene we reproduce full ab-initio calculations of the Coulomb matrix elements within an accuracy of 0.2 eV or better. We show that realistic Coulomb interactions in bilayer graphene can be manipulated on the eV scale by different dielectric and metallic environments. A comparison to electronic phase diagrams derived in [M. M. Scherer et al., Phys. Rev. B 85, 235408 (2012)] suggests that the electronic ground state of bilayer graphene is a layered antiferromagnet and remains surprisingly unaffected by these strong changes in the Coulomb interaction.

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Section: Coulomb Interactions In Real Spacesupporting

confidence: 74%

“…the π bands) and treats the σ bands as well as states at higher energies as the "rest" 16 . We can describe such a system with a generalized Hubbard model for the p z orbitals with the many-body Hamiltonian…”

Section: Model Hamiltonian and The Crpa Approachmentioning

confidence: 99%

Wannier function approach to realistic Coulomb interactions in layered materials and heterostructures

Rösner¹,

Şaşıoğlu²,

Friedrich³

et al. 2015

Phys. Rev. B

Self Cite

View full text Add to dashboard Cite

show abstract

“…The strength of the on-site Coulomb interaction in graphene was recently estimated to be U = 3.3t from first-principles [65]. Due to limited screening in pristine graphene, also longer range repulsion was found to be important, with the nearest neighbor repulsion V = 2.0t and then further diminishing with distance, resulting in a dielectric constant = 2.5 [65]. The effective fine structure constant then becomes α = e 2 v F ≈ 0.9.…”

Section: Electron Interactions In Graphenementioning

confidence: 99%

“…At finite doping the superconducting instabilities are also largely immune to any potential gap generation at the Dirac points produced by additional sublattice symmetry breaking or spin-orbit coupling terms. Based on recent first-principles calculations U = 3.3t [65] and cannot simply be seen as a small perturbation. In the opposite, large-U limit, the Hubbard model can be rewritten as a t-J Hamiltonian [67,68,69,70], where the effective interaction to lowest order is J = 2t 2 /U and between nearest-neighbor spins:…”

Section: Effective T-j Modelmentioning

confidence: 99%

Chirald-wave superconductivity in doped graphene

Black‐Schaffer

Honerkamp

2014

J. Phys.: Condens. Matter

170

175

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Abstract. A highly unconventional superconducting state with a spin-singlet d x 2 −y 2 ± id xy -wave, or chiral d-wave, symmetry has recently been proposed to emerge from electron-electron interactions in doped graphene. Especially graphene doped to the van Hove singularity at 1/4 doping, where the density of states diverges, has been argued to likely be a chiral d-wave superconductor. In this review we summarize the currently mounting theoretical evidence for the existence of a chiral d-wave superconducting state in graphene, obtained with methods ranging from mean-field studies of effective Hamiltonians to angle-resolved renormalization group calculations. We further discuss multiple distinctive properties of the chiral d-wave superconducting state in graphene, as well as its stability in the presence of disorder. We also review means of enhancing the chiral d-wave state using proximity-induced superconductivity. The appearance of chiral d-wave superconductivity is intimately linked to the hexagonal crystal lattice and we also offer a brief overview of other materials which have also been proposed to be chiral d-wave superconductors.

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“…For the case of electrons with spin (σ = ↑,↓) we introduce spin-dependent electron densities n σ r and use the same formalism as described above with a Hubbard Hamiltonian of the form H = H ↑ + H ↓ , 29,31 …”

Section: Basicsmentioning

confidence: 99%

Electron interaction, charging, and screening at grain boundaries in graphene

Ihnatsenka

Zozoulenko

2013

Phys. Rev. B

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Electronic, transport, and spin properties of grain boundaries (GBs) are investigated in electrostatically doped graphene at finite electron densities within the Hartree and Hubbard approximations. We demonstrate that depending on the character of the GBs, the states residing on them can have a metallic character with a zero group velocity or can be fully populated losing the ability to carry a current. These states show qualitatively different features in charge accumulation and spin polarization. We also demonstrate that the semiclassical Thomas-Fermi approach provides a satisfactory approximation to the calculated self-consistent potential. The conductance of GBs is reduced due to enhanced backscattering from this potential.

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Strength of Effective Coulomb Interactions in Graphene and Graphite

Cited by 553 publications

References 40 publications

Wannier function approach to realistic Coulomb interactions in layered materials and heterostructures

Wannier function approach to realistic Coulomb interactions in layered materials and heterostructures

Chirald-wave superconductivity in doped graphene

Electron interaction, charging, and screening at grain boundaries in graphene

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