Monolayer NbSe2's Fermi-level flat band is an obstructed atomic band whose Wannier function is 94% reproduced by a compact three-site orbital, and its minimal model has next-nearest-neighbor hopping larger than nearest-neighbor hopping.
Dielectric catastrophe at the Mott transition
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We study the Mott transition as a function of interaction strength in the half-filled Hubbard chain with next-nearest-neighbor hopping t' by calculating the response to an external electric field using the Density Matrix Renormalization Group. The electric susceptibility chi diverges when approaching the critical point from the insulating side. We show that the correlation length xi characterizing this transition is directly proportional to fluctuations of the polarization and that chi ~ xi^2. The critical behavior shows that the transition is infinite-order for all t', whether or not a spin gap is present, and that hyperscaling holds.
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Quantum Geometry in the NbSe$_2$ Family I: Obstructed Compact Wannier Function and New Perturbation Theory
Monolayer NbSe2's Fermi-level flat band is an obstructed atomic band whose Wannier function is 94% reproduced by a compact three-site orbital, and its minimal model has next-nearest-neighbor hopping larger than nearest-neighbor hopping.