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arXiv:2009.12435

Efficient matrix-product-state preparation of highly entangled trial states: Weak Mott insulators on the triangular lattice revisited

Amir M-Aghaei, Bela Bauer, Kirill Shtengel, Ryan V. Mishmash

Published Sep 25, 2020• 5 citations
arXivHTMLPDF

Abstract

Using tensor network states to unravel the physics of quantum spin liquids in minimal, yet generic microscopic spin or electronic models remains notoriously challenging. A prominent open question concerns the nature of the insulating ground state of two-dimensional half-filled Hubbard-type models on the triangular lattice in the vicinity of the Mott metal-insulator transition, a regime which can be approximated microscopically by a spin-1/2 Heisenberg model supplemented with additional "ring-exchange" interactions. Using a novel and efficient state preparation technique whereby we initialize full density matrix renormalization group (DMRG) calculations with highly entangled Gutzwiller-projected Fermi surface trial wave functions, we show -- contrary to previous works -- that the simplest triangular lattice $J$-$K$ spin model with four-site ring exchange likely does not harbor a fully gapless U(1) spinon Fermi surface (spin Bose metal) phase on four- and six-leg wide ladders. Our methodology paves the way to fully resolve with DMRG other controversial problems in the fields of frustrated quantum magnetism and strongly correlated electrons.

DOI
10.48550/arxiv.2009.12435

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Using tensor network states to unravel the physics of quantum spin liquids in minimal, yet generic microscopic spin or electronic models remains notoriously challenging. A prominent open question concerns the nature of the insulating ground state of two-dimensional half-filled Hubbard-type models on the triangular lattice in the vicinity of the Mott metal-insulator transition, a regime which can be approximated microscopically by a spin-1/2 Heisenberg model supplemented with additional "ring-exchange" interactions. Using a novel and efficient state preparation technique whereby we initialize full density matrix renormalization group (DMRG) calculations with highly entangled Gutzwiller-projected Fermi surface trial wave functions, we show -- contrary to previous works -- that the simplest triangular lattice JJJ-KKK spin model with four-site ring exchange likely does not harbor a fully gapless U(1) spinon Fermi surface (spin Bose metal) phase on four- and six-leg wide ladders. Our methodology paves the way to fully resolve with DMRG other controversial problems in the fields of frustrated quantum magnetism and strongly correlated electrons.
Recent experiments on triangular lattice organic Mott insulators have found evidence for a two-dimensional (2D) spin liquid in close proximity to the metal-insulator transition. A Gutzwiller wave function study of the triangular lattice Heisenberg model with a four-spin ring exchange term appropriate in this regime has found that the projected spinon Fermi sea state has a low variational energy. This wave function, together with a slave particle-gauge theory analysis, suggests that this putative spin liquid possesses spin correlations that are singular along surfaces in momentum space, i.e., ``Bose surfaces.'' Signatures of this state, which we will refer to as a ``spin Bose metal'' (SBM), are expected to manifest in quasi-one-dimensional (quasi-1D) ladder systems: the discrete transverse momenta cut through the 2D Bose surface leading to a distinct pattern of 1D gapless modes. Here, we search for a quasi-1D descendant of the triangular lattice SBM state by exploring the Heisenberg plus ring model on a two-leg triangular strip (zigzag chain). Using density matrix renormalization group (DMRG) supplemented by variational wave functions and a bosonization analysis, we map out the full phase diagram. In the absence of ring exchange the model is equivalent to the ${J}_{1}\text{\ensuremath{-}}{J}_{2}$ Heisenberg chain, and we find the expected Bethe-chain and dimerized phases. Remarkably, moderate ring exchange reveals a new gapless phase over a large swath of the phase diagram. Spin and dimer correlations possess singular wave vectors at particular ``Bose points'' (remnants of the 2D Bose surface) and allow us to identify this phase as the hoped for quasi-1D descendant of the triangular lattice SBM state. We use bosonization to derive a low-energy effective theory for the zigzag spin Bose metal and find three gapless modes and one Luttinger parameter controlling all power law correlations. Potential instabilities out of the zigzag SBM give rise to other interesting phases such as a period-3 valence bond solid or a period-4 chirality order, which we discover in the DMRG. Another interesting instability is into a spin Bose-metal phase with partial ferromagnetism (spin polarization of one spinon band), which we also find numerically using the DMRG.
Two-dimensional density-matrix renormalization group method is employed to examine the ground-state phase diagram of the Hubbard model on the triangular lattice at half-filling. The calculation reveals two discontinuities in the double occupancy with increasing the repulsive Hubbard interaction UUU at ${U}_{\mathrm{c}1}\ensuremath{\sim}7.8t$ and ${U}_{\mathrm{c}2}\ensuremath{\sim}9.9t$ (ttt being the hopping integral), indicating that there are three phases separated by first-order transitions. The absence of any singularity in physical quantities for $0\ensuremath{\le}U<{U}_{\mathrm{c}1}$ implies a metallic phase in this regime. For U>Uc2U>{U}_{\mathrm{c}2}U>Uc2​, the local spin density induced by an applied pinning magnetic field exhibits a three sublattice feature, which is compatible with the ${120}^{\ensuremath{\circ}}$ N\'eel-ordered state realized in the limit of $U\ensuremath{\rightarrow}\ensuremath{\infty}$. For Uc1<U<Uc2{U}_{\mathrm{c}1}<U<{U}_{\mathrm{c}2}Uc1​<U<Uc2​, a response to the applied pinning magnetic field is comparable to that in the metallic phase with a relatively large spin correlation length, but showing neither valence bond nor chiral magnetic order, which therefore resembles gapless spin liquid. However, the spin structure factor for the intermediate phase exhibits the maximum at the K\mathrm{K}K and ${\mathrm{K}}^{\ensuremath{'}}$ points in the momentum space, which is not compatible to spin liquid with a large spinon Fermi surface. The calculation also finds that the pairing correlation function monotonically decreases with increasing UUU and thus the superconductivity is unlikely in the intermediate phase.
Quantum mechanical systems of strongly interacting particles in two dimensions comprise a realm of condensed matter physics for which there remain many unanswered theoretical questions. In particular, the most formidable challenges may lie in cases where the ground states show no signs of ordering, break no symmetries, and support many gapless excitations. Such systems are known to exhibit exotic, disordered ground states that are notoriously difficult to study analytically using traditional perturbation techniques or numerically using the most recent methods (e.g., tensor network states) due to the large amount of spatial entanglement. Slave particle descriptions provide a glimmer of hope in the attempt to capture the fundamental, low-energy physics of these highly non-trivial phases of matter. To this end, this dissertation describes the construction and implementation of trial wave functions for use with variational Monte Carlo techniques that can easily model slave particle states. While these methods are extremely computationally tractable in two dimensions, we have applied them here to quasi-one-dimensional systems so that the results of other numerical techniques, such as the density matrix renormalization group, can be directly compared to those determined by the trial wave functions and so that exclusively one-dimensional analytic approaches, namely bosonization, can be employed. While the focus here is on the use of variational Monte Carlo, the sum of these different numerical and analytical tools has yielded a remarkable amount of insight into several exotic quantum ground states. In particular, the results of research on the d-wave Bose liquid phase, an uncondensed state of strongly correlated hard-core bosons living on the square lattice whose wave function exhibits a d-wave sign structure, and the spin Bose-metal phase, a spin-1/2, SU(2) invariant spin liquid of strongly correlated spins living on the triangular lattice, will be presented. Both phases support gapless excitations along surfaces in momentum space in two spatial dimensions and at incommensurate wave vectors in quasi-one dimension, where we have studied them on three- and four-leg ladders. An extension of this work to the study of d-wave correlated itinerant electrons will be discussed.
We use unrestricted Hartree-Fock, density matrix renormalization group, and variational projected entangled-pair state calculations to investigate the ground-state phase diagram of the triangular-lattice Hubbard model at “half doping” relative to single occupancy, i.e., at fillings of ( 1 ± 1 2 ) electrons per site. The electron-doped case has a nested Fermi surface in the noninteracting limit, and hence a weak-coupling instability toward density-wave orders whose wave vectors are determined by Fermi-surface nesting conditions. We find that at moderate-to-strong interaction strengths, other spatially modulated orders arise, with wave vectors distinct from the nesting vectors. In particular, we identify a series of closely competing, itinerant long-wavelength magnetically ordered states, yielding to uniform ferromagnetic order at the largest interaction strengths. For half-hole doping and a similar range of interaction strengths, our data indicate that magnetic orders are most likely absent.
We investigate the evolution of the Mott insulators in the triangular lattice Hubbard Model, as a function of hole doping $\ensuremath{\delta}$ in both the strong and intermediate coupling limits. Using the advanced density matrix renormalization group (DMRG) method, at light hole doping $\ensuremath{\delta}\ensuremath{\lesssim}10%$, we find a significant difference between strong and intermediate couplings. Notably, at intermediate coupling an unusual metallic state emerges, with short ranged spin correlations but long ranged spin-chirality order. Moreover, no clear Fermi surface or wave vector is observed, this chiral metal also exhibits staggered loop current, which breaks the translational symmetry. These features disappear on increasing interaction strength or on further doping. At strong coupling, the 120 degree magnetic order of the insulating magnet persists for light doping, and produces hole pockets with a well-defined Fermi surface. On further doping, $\ensuremath{\delta}\ensuremath{\approx}10%\ensuremath{\sim}20%$ SDW order and coherent hole Fermi pockets are found at both strong and intermediate couplings. At even higher doping $\ensuremath{\delta}\ensuremath{\gtrsim}20%$, the SDW order is suppressed and the spin-singlet Cooper pair correlations are simultaneously enhanced. We also briefly comment on the strong particle-hole asymmetry of the model.
We study the fully gapped chiral Mott insulator (CMI) of frustrated Bose-Hubbard models on ladders and two-dimensional lattices by perturbative strong-coupling analysis and density matrix renormalization group (DMRG). First we show the existence of a low-lying exciton state on several geometries carrying the correct quantum numbers responsible for the condensation of excitons and formation of the CMI in the intermediate interaction regime. Then we perform systematic DMRG simulations on several two-leg ladder systems with $\ensuremath{\pi}$ flux and carefully characterize the two quantum phase transitions. We discuss the possibility to extend the generally very small CMI window by including repulsive nearest-neighbor interactions or changing density and coupling ratios.