High- and low-energy many-body effects of graphene in a unified approach
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arXiv
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| Auteurs principaux: | , , , |
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| Format: | Preprint |
| Publié: |
2024
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| _version_ | 1866918049047642112 |
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| author | Guandalini, Alberto Caldarelli, Giovanni Macheda, Francesco Mauri, Francesco |
| author_facet | Guandalini, Alberto Caldarelli, Giovanni Macheda, Francesco Mauri, Francesco |
| contents | 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 a nearly perfect agreement both in the low energy region near the Dirac cone ($\sim 100$ meV), and at the higher energies of the π plasmon ($\sim 5$ 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 quasi-particle 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, 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. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2409_17645 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | High- and low-energy many-body effects of graphene in a unified approach Guandalini, Alberto Caldarelli, Giovanni Macheda, Francesco Mauri, Francesco Atomic and Molecular Clusters 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 a nearly perfect agreement both in the low energy region near the Dirac cone ($\sim 100$ meV), and at the higher energies of the π plasmon ($\sim 5$ 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 quasi-particle 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, 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. |
| title | High- and low-energy many-body effects of graphene in a unified approach |
| topic | Atomic and Molecular Clusters |
| url | https://arxiv.org/abs/2409.17645 |