High- and low-energy many-body effects of graphene in a unified approach

We show that the many-body features of graphene band structure and electronic response can be accurately evaluated by applying many-body perturbation theory to a tight-binding (TB) model. In particular, we compare TB results for the optical conductivity with previous ab initio calculations, showing nearly perfect agreement both in the low-energy region near the Dirac cone ($\ensuremath{\sim}100$ meV) and at the higher energies of the $\ensuremath{\pi}$ plasmon ($\ensuremath{\sim}5$ eV). A reasonable agreement is reached also for the density-density response at the Brillouin zone corner. With the help of the reduced computational cost of the TB model, we study the effect of self-consistency on the screened interaction ($W$) and on the quasiparticle corrections, a task that is not yet achievable in ab initio frameworks. We find that self-consistency is important to reproduce the experimental results on the divergence of the Fermi velocity, as confirmed by previous studies, while it marginally affects the optical conductivity. Finally, we study the robustness of our results against doping or the introduction of a uniform dielectric environment.

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Publication Details

Journal
Physical review. B./Physical review. B
Published
2025-02-10
DOI
https://doi.org/10.1103/physrevb.111.075118
Citations
4
Primary Topic
Graphene research and applications
Type
article
Field-Weighted Citation Impact
2.07

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article

High- and low-energy many-body effects of graphene in a unified approach

Alberto Guandalini, Francesco Macheda, Giovanni Caldarelli, Francesco Mauri
4 citations
Physical review. B./Physical review. B
Graphene research and applications
2.07
article

High- and low-energy many-body effects of graphene in a unified approach

Alberto Guandalini, Francesco Macheda, Giovanni Caldarelli, Francesco Mauri
article en
4 citations

Abstract

We show that the many-body features of graphene band structure and electronic response can be accurately evaluated by applying many-body perturbation theory to a tight-binding (TB) model. In particular, we compare TB results for the optical conductivity with previous ab initio calculations, showing nearly perfect agreement both in the low-energy region near the Dirac cone ($\ensuremath{\sim}100$ meV) and at the higher energies of the $\ensuremath{\pi}$ plasmon ($\ensuremath{\sim}5$ eV). A reasonable agreement is reached also for the density-density response at the Brillouin zone corner. With the help of the reduced computational cost of the TB model, we study the effect of self-consistency on the screened interaction ($W$) and on the quasiparticle corrections, a task that is not yet achievable in ab initio frameworks. We find that self-consistency is important to reproduce the experimental results on the divergence of the Fermi velocity, as confirmed by previous studies, while it marginally affects the optical conductivity. Finally, we study the robustness of our results against doping or the introduction of a uniform dielectric environment.

Physical review. B./Physical review. BVol. 111(7)
Sapienza University of Rome (IT)
European Research Council
Affordable and clean energy
Openalex Percentile: Top 15%
Graphene research and applications
2.07
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High- and low-energy many-body effects of graphene in a unified approach — Alberto Guandalini, Francesco Macheda, et al. · Physical review. B./Physical review. B (2025) | TGRS Research Map | TGRS