Extended Hubbard corrected tight-binding model for rhombohedral few-layer graphene

arxiv(2024)

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摘要
Rhombohedral multilayer graphene (RnG) featuring partially flat bands has emerged as an important platform to probe strong Coulomb correlation effects. Theoretical consideration of local electron-electron interactions are of particular importance for electronic eigenstates with a tendency to spatially localize. We present a method to incorporate mean-field electron-electron interaction corrections in the tight-binding hopping parameters of the band Hamiltonian within the extended Hubbard model that incorporates ab initio estimates of on-site (U) and inter-site (V) Hubbard interactions for the π bands of RnG. Our Coulomb-interaction renormalized band structures feature electron-hole asymmetry, band flatness, band gap, and anti-ferromagnetic ground states in excellent agreement with available experiments for n ≥ 4. We reinterpret the putative gaps proposed in n=3 systems in terms of shifting electron and hole density of states peaks depending on the range of the Coulomb interaction models.
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