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arXiv:2503.18639 · Physical review. B./Physical review. B

Screening in Hubbard models with long-range interactions

Florian Gebhard, Kevin Bauerbach, Örs Legeza

Published May 29, 2025• 2 citations

Abstract

We provide solid evidence for the long-standing presumption that model Hamiltonians with short-range interactions faithfully reproduce the physics of the long-range Coulomb interaction in real materials. For this aim, we address a generic Hubbard model that captures the quantum phase transitions between metal, Mott insulator, and charge-density-wave (CDW) insulator, in the absence of Fermi-surface nesting. By comparing the quantum phase diagrams for the 1 / r -Hubbard model on a half-filled chain with nearest-neighbor and 1 / r -long-range interactions, we argue that the inclusion of long-range interactions is not crucial for a proper description of interacting many-electron systems. To this end, we employ the density matrix renormalization group method on finite lattices and antiperiodic boundary conditions to determine the quantum phase transitions between the metallic Luttinger liquid for weak interactions, the Mott-Hubbard insulator for dominant on-site interactions, and the CDW insulator for dominant intersite interactions. The two phase diagrams qualitatively agree inasmuch as the quantum phase transitions are continuous in both cases. Moreover, simple Hartree-Fock theory and the atomic limit provide renormalization factors that allow us to quantitatively map the two phase diagrams onto each other. As a practical advantage, our findings imply that computational efforts can be reduced tremendously by using models with short-range interactions only.

DOI: 10.1103/physrevb.111.205146

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We provide solid evidence for the long-standing presumption that model Hamiltonians with short-range interactions faithfully reproduce the physics of the long-range Coulomb interaction in real materials. For this aim, we address a generic Hubbard model that captures the quantum phase transitions between metal, Mott insulator, and charge-density-wave (CDW) insulator, in the absence of Fermi-surface nesting. By comparing the quantum phase diagrams for the 1 / r -Hubbard model on a half-filled chain with nearest-neighbor and 1 / r -long-range interactions, we argue that the inclusion of long-range interactions is not crucial for a proper description of interacting many-electron systems. To this end, we employ the density matrix renormalization group method on finite lattices and antiperiodic boundary conditions to determine the quantum phase transitions between the metallic Luttinger liquid for weak interactions, the Mott-Hubbard insulator for dominant on-site interactions, and the CDW insulator for dominant intersite interactions. The two phase diagrams qualitatively agree inasmuch as the quantum phase transitions are continuous in both cases. Moreover, simple Hartree-Fock theory and the atomic limit provide renormalization factors that allow us to quantitatively map the two phase diagrams onto each other. As a practical advantage, our findings imply that computational efforts can be reduced tremendously by using models with short-range interactions only.

We determine the ground-state phase diagram for the

1/r

-Hubbard model with repulsive nearest-neighbor interaction at half band filling using the density-matrix renormalization group method. Due to the absence of Umklapp scattering, the phase diagram displays finite regions for the three generic phases, namely, a Luttinger liquid metal for weak interactions, a Mott-Hubbard insulator for dominant Hubbard interactions, and a charge-density-wave insulator for dominant nearest-neighbor interactions. Up to moderate interaction strengths, the quantum phase transitions between the metallic and insulating phases are continuous, i.e., the gap opens continuously as a function of the interaction strength. We conclude that generic short-range interactions do not change the nature of the Mott transition qualitatively.

While the Hubbard model is the standard model to study Mott metal-insulator transitions, it is still unclear to what extent it can describe metal-insulator transitions in real solids, where nonlocal Coulomb interactions are always present. By using a variational principle, we clarify this issue for short- and long-range nonlocal Coulomb interactions for half-filled systems on bipartite lattices. We find that repulsive nonlocal interactions generally stabilize the Fermi-liquid regime. The metal-insulator phase boundary is shifted to larger interaction strengths to leading order linearly with nonlocal interactions. Importantly, nonlocal interactions can raise the order of the metal-insulator transition. We present a detailed analysis of how the dimension and geometry of the lattice as well as the temperature determine the critical nonlocal interaction leading to a first-order transition: for systems in more than two dimensions with nonzero density of states at the Fermi energy the critical nonlocal interaction is arbitrarily small; otherwise, it is finite.

The ground-state phase diagram of mixtures of spin polarized fermions and bosons in a 1D periodic lattice is discussed in the limit of large fermion hopping and half filling of the fermions. Numerical simulations performed with the density matrix renormalization group (DMRG) show in addition to bosonic Mott insulating (MI), superfluid (SF), and charge density-wave phases (CDW) a yet unreported phase with spatial separation of MI and CDW regions. We derive an effective bosonic theory which allows for a complete understanding and quantitative prediction of the bosonic phase diagram. In particular the origin of CDW phase and the MI-CDW phase separation is revealed as an effective fermion-mediated long-range interaction between bosons with alternating sign.

Using extended dynamical mean-field theory and its combination with the

GW

approximation, we compute the phase diagrams and local spectral functions of the single-band extended Hubbard model on the square and simple cubic lattices, considering long-range interactions up to the third nearest neighbors. The longer-range interactions shift the boundaries between the metallic, charge-ordered insulating, and Mott insulating phases, and lead to characteristic changes in the screening modes and local spectral functions. Momentum-dependent self-energy contributions enhance the correlation effects and thus compete with the additional screening effect from longer-range Coulomb interactions. Our results suggest that the influence of longer-range intersite interactions is significant, and that these effects deserve attention in realistic studies of correlated materials.

We re-examine the Peierls insulator to Mott insulator transition scenario in the one-dimensional Holstein-Hubbard model where, at half-filling, electron-phonon and electron-electron interactions compete for establishing charge- and spin-density-wave states, respectively. By means of large-scale density-matrix renormalization group calculations we determine the spin, single-particle and two-particle excitation gaps and prove —in the course of a careful finite-size scaling analysis— recent claims for an intervening metallic phase in the weak-coupling regime. We show that for large phonon frequencies the metallic region is even more extended than previously expected, and subdivided into ordinary Luttinger-liquid and bipolaronic-liquid phases.

Experiments on quasi-one-dimensional systems such as quantum wires and metallic chains on surfaces suggest the existence of electron-electron interactions of substantial range and hence physics beyond the Hubbard model. We therefore investigate one-dimensional, quarter-filled chains with a Coulomb potential with variable screening length by quantum Monte Carlo methods and exact diagonalization. The Luttinger liquid interaction parameter ${K}_{\ensuremath{\rho}}$ decreases with increasing interaction strength and range. Experimentally observed values close to 1/4 require strong interactions and/or large screening lengths. As predicted by bosonization, we find a metal-insulator transition at ${K}_{\ensuremath{\rho}}=1/4$. Upon increasing the screening length, the charge and spin correlation functions reveal the crossover from dominant

2{k}_{\mathrm{F}}

spin correlations to dominant

4{k}_{\mathrm{F}}

charge correlations, and a strong enhancement of the charge velocity. In the metallic phase, the signatures of spin-charge separation in the single-particle spectrum, spinon and holon bands, remain robust even for rather long-ranged interactions. The charge-density-wave state exhibits backfolded shadow bands.