Extended Hubbard corrected tight-binding model for rhombohedral few-layer graphene
arxiv(2024)
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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