Research paperTheoreticalComputational DFTElectronic structure and optical signatures of highly-doped grapheneFrancisco Guinea, Guillermo Parra-Martínez, Saúl Antonio Herrera-González, Jose Angel Silva-Guillén et al.2025·10.13039/501100011033·arXiv:2509.18098AbstractHeavily doping graphene by intercalation can raise its Fermi level near an extended van Hove singularity and strongly renormalize its electronic structure. This paper constructs effective tight-binding models for ordered Li- and Cs-doped monolayer graphene superlattices, incorporating dopant ordering, carbon-dopant hybridization, and π-band renormalization. Model parameters are obtained from density functional theory and used to compute electronic structure and optical conductivity signatures relevant to ARPES and superlattice symmetry.Read more
Li-doped monolayer graphene in a √3 × √3 ordered superlattice.4 propertiesSimulatedCStudied MaterialLiStudied MaterialExpand
Cs-doped monolayer graphene in a 2 × 2 ordered superlattice.4 propertiesSimulatedCStudied MaterialCsStudied MaterialExpand
Research paperTheoreticalComputational DFTElectronic structure and optical signatures of highly-doped grapheneFrancisco Guinea, Guillermo Parra-Martínez, Saúl Antonio Herrera-González, Jose Angel Silva-Guillén et al.2025·10.13039/501100011033·arXiv:2509.18098AbstractHeavily doping graphene by intercalation can raise its Fermi level near an extended van Hove singularity and strongly renormalize its electronic structure. This paper constructs effective tight-binding models for ordered Li- and Cs-doped monolayer graphene superlattices, incorporating dopant ordering, carbon-dopant hybridization, and π-band renormalization. Model parameters are obtained from density functional theory and used to compute electronic structure and optical conductivity signatures relevant to ARPES and superlattice symmetry.Read more
Li-doped monolayer graphene in a √3 × √3 ordered superlattice.4 propertiesSimulatedCStudied MaterialLiStudied MaterialExpand
Cs-doped monolayer graphene in a 2 × 2 ordered superlattice.4 propertiesSimulatedCStudied MaterialCsStudied MaterialExpand
Research paperTheoreticalComputational DFTElectronic structure and optical signatures of highly-doped grapheneFrancisco Guinea, Guillermo Parra-Martínez, Saúl Antonio Herrera-González, Jose Angel Silva-Guillén et al.2025·10.13039/501100011033·arXiv:2509.18098AbstractHeavily doping graphene by intercalation can raise its Fermi level near an extended van Hove singularity and strongly renormalize its electronic structure. This paper constructs effective tight-binding models for ordered Li- and Cs-doped monolayer graphene superlattices, incorporating dopant ordering, carbon-dopant hybridization, and π-band renormalization. Model parameters are obtained from density functional theory and used to compute electronic structure and optical conductivity signatures relevant to ARPES and superlattice symmetry.Read more
Li-doped monolayer graphene in a √3 × √3 ordered superlattice.4 propertiesSimulatedCStudied MaterialLiStudied MaterialExpand
Cs-doped monolayer graphene in a 2 × 2 ordered superlattice.4 propertiesSimulatedCStudied MaterialCsStudied MaterialExpand
Research paperTheoreticalComputational DFTElectronic structure and optical signatures of highly-doped grapheneFrancisco Guinea, Guillermo Parra-Martínez, Saúl Antonio Herrera-González, Jose Angel Silva-Guillén et al.2025·10.13039/501100011033·arXiv:2509.18098AbstractHeavily doping graphene by intercalation can raise its Fermi level near an extended van Hove singularity and strongly renormalize its electronic structure. This paper constructs effective tight-binding models for ordered Li- and Cs-doped monolayer graphene superlattices, incorporating dopant ordering, carbon-dopant hybridization, and π-band renormalization. Model parameters are obtained from density functional theory and used to compute electronic structure and optical conductivity signatures relevant to ARPES and superlattice symmetry.Read more
Li-doped monolayer graphene in a √3 × √3 ordered superlattice.4 propertiesSimulatedCStudied MaterialLiStudied MaterialExpand
Cs-doped monolayer graphene in a 2 × 2 ordered superlattice.4 propertiesSimulatedCStudied MaterialCsStudied MaterialExpand