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arXiv:2010.06543 · Physical Review Research

Hubbard model on the Bethe lattice via variational uniform tree states: Metal-insulator transition and a Fermi liquid

Peter Lunts, Antoine Georges, E. Miles Stoudenmire, Matthew Fishman

Published Apr 19, 2021• 9 citations
arXivHTMLPDF

Abstract

We numerically solve the Hubbard model on the Bethe lattice with finite coordination number z = 3, and determine its zero-temperature phase diagram.For this purpose, we introduce and develop the "variational uniform tree state" (VUTS) algorithm, a tensor-network algorithm which generalizes the variational uniform matrix product state algorithm to tree tensor networks.Our results reveal an antiferromagnetic insulating phase and a paramagnetic metallic phase, separated by a first-order doping-driven metal-insulator transition.We show that the metallic state is a Fermi liquid with coherent quasiparticle excitations for all values of the interaction strength U , and we obtain the finite quasiparticle weight Z from the single-particle occupation function of a generalized "momentum" variable.We find that Z decreases with increasing U , ultimately saturating to a nonzero, doping-dependent value.Our work demonstrates that tensor-network calculations on tree lattices, and the VUTS algorithm in particular, are a platform for obtaining controlled results for phenomena absent in one dimension, such as Fermi liquids, while avoiding computational difficulties associated with tensor networks in two dimensions.We envision that future studies could observe non-Fermi liquids, interaction-driven metal-insulator transitions, and doped spin liquids using this platform.

DOI
10.1103/physrevresearch.3.023054

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We numerically solve the Hubbard model on the Bethe lattice with finite coordination number z = 3, and determine its zero-temperature phase diagram.For this purpose, we introduce and develop the "variational uniform tree state" (VUTS) algorithm, a tensor-network algorithm which generalizes the variational uniform matrix product state algorithm to tree tensor networks.Our results reveal an antiferromagnetic insulating phase and a paramagnetic metallic phase, separated by a first-order doping-driven metal-insulator transition.We show that the metallic state is a Fermi liquid with coherent quasiparticle excitations for all values of the interaction strength U , and we obtain the finite quasiparticle weight Z from the single-particle occupation function of a generalized "momentum" variable.We find that Z decreases with increasing U , ultimately saturating to a nonzero, doping-dependent value.Our work demonstrates that tensor-network calculations on tree lattices, and the VUTS algorithm in particular, are a platform for obtaining controlled results for phenomena absent in one dimension, such as Fermi liquids, while avoiding computational difficulties associated with tensor networks in two dimensions.We envision that future studies could observe non-Fermi liquids, interaction-driven metal-insulator transitions, and doped spin liquids using this platform.
We have extended the canonical tree tensor network (TTN) method, which was initially introduced to simulate the zero-temperature properties of quantum lattice models on the Bethe lattice, to finite temperature simulations. By representing the thermal density matrix with a canonicalized tree tensor product operator, we optimize the TTN and compute accurately the thermodynamic quantities, including the internal energy, specific heat, spontaneous magnetization, etc., at various temperatures. By varying the anisotropic coupling constant $\mathrm{\ensuremath{\Delta}}$, we obtain the phase diagram of the spin-1/2 Heisenberg XXZ model on the Bethe lattice, where three magnetic ordered phases, namely the ferromagnetic, XY, and antiferromagnetic phases, are found in low temperatures and separated from the high-TTT paramagnetic phase by a continuous thermal phase transition at Tc{T}_{c}Tc​. The XY phase is separated from the other two phases by two first-order phase transition lines at the symmetric coupling points $\mathrm{\ensuremath{\Delta}}=\ifmmode\pm\else\textpm\fi{}1$. We have also carried out a linear spin wave calculation on the Bethe lattice, showing that the low-energy magnetic excitations are always gapped, and find the obtained magnon gaps in very good agreement with those estimated from the TTN simulations. Despite the gapped excitation spectrum, Goldstone-like transverse fluctuation modes, as a manifestation of spontaneous continuous symmetry breaking, are observed in the ordered magnetic phases with $|\mathrm{\ensuremath{\Delta}}|\ensuremath{\le}1$. One remarkable feature there is that the transverse correlation length reaches ${\ensuremath{\xi}}_{c}=1/ln(z\ensuremath{-}1)$ for $T\ensuremath{\le}{T}_{c}$, the maximal value allowed on a zzz-coordinated Bethe lattice.
We study the nature of metal-insulator transition in the paramagnetic state for the Hubbard model on the Bethe lattice. The single-particle density of states is calculated via the operator Lanczos method. Our study shows that the metal-insulator transition is continuous and there is no preformed gap. The quasiparticle weight vanishes linearly with the distance from the transition point (Uc){(U}_{c})(Uc​) in agreement with results of iterative perturbation theory and exact diagonalization method. Our Uc{U}_{c}Uc​ is comparable to that by the random dispersion approximation. Our result indicates non-Fermi-liquid feature at the transition point.
Abstract We present a T = 0 K renormalization group (RG) phase diagram for the electronic Hubbard model in two dimensions on the square lattice at half filling. The RG procedure treats quantum fluctuations in the single particle occupation number nonperturbatively via the unitarily decoupling of one electronic state at every RG step. The resulting phase diagram thus possesses the quantum fluctuation energy scale (ω) as one of its axes. A relation is derived between ω and the effective temperature scale upto which gapless, as well as emergent gapped phases can be obtained. We find that the normal and insulating phases of the half-filled Hubbard model correspond, for any on-site repulsion, to a marginal Fermi liquid normal phase and a topologically-ordered gapped Mott insulating liquid respectively. The marginal Fermi liquid is found to arise from singular forward scattering in directions normal to the nested Fermi surface, while singular backscattering events lead to Mott liquid state. The transition between these two phases involves passage through a pseudogapped phase bookended by Fermi surface topology-changing Lifshitz transitions. The pseudogap phase is observed to arise from the electronic differentiation encoded within the nested Fermi surface, and involves the gradual gapping of the Fermi surface from antinodes to nodes via charge and spin excitations that are mutually entangled. We obtain effective Hamiltonians for various phases, as well as wavefunctions for the low-energy many-body eigenstates of the Mott liquid. Benchmarking of the ground-state energy per particle and the double-occupancy fraction for the Mott liquid against existing numerical results yields excellent agreement. Presence of a Néel ordering symmetry-breaking perturbation in the RG leads to an antiferromagnetic spin-ordered charge insulating Mott state. Our results thus offer novel insights on a variety of aspects of the Mott–Hubbard problem, and can be extended to the doped system.
We investigate the thermodynamic properties of the Hubbard model on the Bethe lattice with a coordination number of 3 using the thermal canonical tree tensor network method. Our findings reveal two distinct thermodynamic phases: a low-temperature antiferromagnetic phase, where spin SU(2) symmetry is broken, and a high-temperature paramagnetic phase. A key feature of the system is the separation of energy scales for charge and spin excitations, which is reflected in the temperature dependence of thermodynamic quantities and the disparity between spin and charge gaps extracted from their respective susceptibilities. At the critical point, both spin and charge susceptibilities exhibit singularities, suggesting that charge excitations are not fully decoupled from their spin counterparts. Additionally, the double occupancy number exhibits a nonmonotonic temperature dependence, indicative of an entropy-driven Pomeranchuk effect. These results demonstrate that the loopless Bethe lattice effectively captures the essential physics of the Hubbard model while providing a computationally efficient framework for studying strongly correlated electronic systems.
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 interplay between electron-electron and electron-phonon interactions is studied in a one-dimensional lattice model by means of a variational Monte Carlo method based on generalized Jastrow-Slater wave functions. Here, the fermionic part is constructed by a pair-product state, which explicitly depends on the phonon configuration, thus including the electron-phonon coupling in a backflow-inspired way. We report the results for the Hubbard model in the presence of the Su-Schrieffer-Heeger coupling to optical phonons, both at half filling and upon hole doping. At half filling, the ground state is either a translationally invariant Mott insulator, with gapless spin excitations, or a Peierls insulator, which breaks translations and has fully gapped excitations. Away from half filling, the charge gap closes in both Mott and Peierls insulators, turning the former into a conventional Luttinger liquid (gapless in all excitation channels). In the latter case, instead, a finite spin gap remains at small doping. Even though consistent with the general theory of interacting electrons in one dimension, the existence of such a phase (with gapless charge but gapped spin excitations) has never been demonstrated in a model with repulsive interaction and with only two Fermi points. Since the spin-gapped metal represents the one-dimensional counterpart of a superconductor, our results furnish evidence that a true off-diagonal long-range order may exist in the two-dimensional case.