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arXiv:2209.05498 · Physical review. B./Physical review. B

One-dimensional Holstein model revisited

Sijia Zhao, Zhaoyu Han, Steven Allan Kivelson, Ilya Esterlis

Published Feb 21, 2023• 3 citations
arXivHTMLPDF

Abstract

We analyze the global ground-state (quantum) phase diagram of the one-dimensional spinful Holstein model at half filling as a function of the strength of the electron-phonon coupling (represented by the strength of the phonon-induced attraction, $U$) and the phonon frequency ${\ensuremath{\omega}}_{0}$. In addition to reanalyzing the various asymptotic regimes, we carry out density-matrix renormalization group simulations to correct previous inferences concerning the antiadiabatic (large ${\ensuremath{\omega}}_{0}$) and strong-coupling (large $U$) regimes. There are two distinct phases---a fully gapped commensurate charge-density-wave phase and a spin-gapped Luther-Emery phase with a gapless charge mode---separated by a phase boundary, with a shape that reflects different microscopic physics in the weak- and strong-coupling limits.

DOI
10.1103/physrevb.107.075142

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We analyze the global ground-state (quantum) phase diagram of the one-dimensional spinful Holstein model at half filling as a function of the strength of the electron-phonon coupling (represented by the strength of the phonon-induced attraction, UUU) and the phonon frequency \ensuremathω0{\ensuremath{\omega}}_{0}\ensuremathω0​. In addition to reanalyzing the various asymptotic regimes, we carry out density-matrix renormalization group simulations to correct previous inferences concerning the antiadiabatic (large \ensuremathω0{\ensuremath{\omega}}_{0}\ensuremathω0​) and strong-coupling (large UUU) regimes. There are two distinct phases---a fully gapped commensurate charge-density-wave phase and a spin-gapped Luther-Emery phase with a gapless charge mode---separated by a phase boundary, with a shape that reflects different microscopic physics in the weak- and strong-coupling limits.
The Hubbard-Holstein model is one of the central models that describe the competition between electron-electron and electron-phonon interactions. In one dimension and at half-filling, the interplay between an electronic spin-density wave and a phonon-driven charge-density wave is considered to stabilize an intermediate Luther-Emery liquid. Here we show that, once the extended metallic regime disappears, a narrow bond-order-wave phase emerges. We use an exact directed-loop quantum Monte Carlo method for retarded interactions to simulate system sizes of several hundred sites, necessary to observe the weak signatures of this novel phase. Our results suggest a second-order quantum phase transition between the two charge orders that only turns first-order at strong coupling. Our findings are reminiscent of the extended Hubbard model, but they are driven by competing frequency dependencies of the same dynamically-screened Hubbard interaction.
We analyze the quantum phase diagram of the Holstein-Hubbard model using an asymptotically exact strong coupling expansion. We find all sorts of interesting phases including a pair-density wave, a charge 4e (and even a charge 6e) superconductor, regimes of phase separation, and a variety of distinct charge-density-wave, spin-density-wave, and superconducting regimes. We chart the crossovers that occur as a function of the degree of retardation, i.e., the ratio of characteristic phonon frequency to the strength of interactions.
By using variational wave functions and quantum Monte Carlo techniques, we investigate the interplay between electron-electron and electron-phonon interactions in the two-dimensional Hubbard-Holstein model. Here, the ground-state phase diagram is triggered by several energy scales, i.e., the electron hopping ttt, the on-site electron-electron interaction UUU, the phonon energy ${\ensuremath{\omega}}_{0}$, and the electron-phonon coupling ggg. At half filling, the ground state is an antiferromagnetic insulator for $U\ensuremath{\gtrsim}2{g}^{2}/{\ensuremath{\omega}}_{0}$, while it is a charge-density-wave (or bipolaronic) insulator for $U\ensuremath{\lesssim}2{g}^{2}/{\ensuremath{\omega}}_{0}$. In addition to these phases, we find a superconducting phase that intrudes between them. For ${\ensuremath{\omega}}_{0}/t=1$, superconductivity emerges when both U/tU/tU/t and $2{g}^{2}/t{\ensuremath{\omega}}_{0}$ are small; then, by increasing the value of the phonon energy ${\ensuremath{\omega}}_{0}$, it extends along the transition line between antiferromagnetic and charge-density-wave insulators. Away from half filling, phase separation occurs when doping the charge-density-wave insulator, while a uniform (superconducting) ground state is found when doping the superconducting phase. In the analysis of finite-size effects, it is extremely important to average over twisted boundary conditions, especially in the weak-coupling limit and in the doped case.
We derive an effective electronic Hamiltonian for the square lattice Hubbard-Holstein model (HHM) in the strong electron-electron $(e\text{\ensuremath{-}}e)$ and electron-phonon $(e\text{\ensuremath{-}}ph)$ coupling regime and under nonadiabatic conditions $(t/{\ensuremath{\omega}}_{0}\ensuremath{\le}1)$, ttt and ${\ensuremath{\omega}}_{0}$ being the electron hopping and phonon frequency respectively. Using the density matrix renormalization-group method, we simulate this effective electronic model on a four-leg cylinder system at quarter filling and present a phase diagram in the $g\text{\ensuremath{-}}U$ plane where ggg and UUU are the $e\text{\ensuremath{-}}ph$ coupling constant and Hubbard on-site interaction respectively. For larger ggg, we find that a cluster of spins, i.e., phase separation (PS), gives way to a charge density wave (CDW) phase made of nearest-neighbor singlets which abruptly goes to another CDW phase as we increase UUU. But for smaller ggg, we find a metallic phase sandwiched between PS and the singlet CDW phase. This phase is characterized by a vanishing charge gap but a finite spin gap, suggesting a singlet superconducting phase.
In the weak-coupling regime, we analytically investigate phase diagram of a one-dimensional half-filled extended Hubbard model with nearest neighboring four-electron interaction (Q), in addition to the usual two-electron couplings (U,V>0). The additional four-electron coupling splits independent Gaussian and spin-gap transitions and also leads to the charge-gap transition. For the positive Q, the ground state exhibits three insulating phases, charge-density-wave (CDW), spin-density-wave (SDW) and bond-spin-density-wave (BSDW). For the negative Q, the phase diagram consists of five phases, which, besides the SDW and CDW phases, contain bond-charge-density-wave (BCDW), Luttinger liquid (LL) and Luther–Emery (LE) phases.
We study the Holstein model of spinless fermions, which at half filling exhibits a quantum phase transition from a metallic Tomonaga-Luttinger liquid phase to an insulating charge-density-wave (CDW) phase at a critical electron-phonon coupling strength. In our work, we focus on the real-time evolution starting from two different types of initial states that are CDW ordered: (i) ideal CDW states with and without additional phonons in the system and (ii) correlated ground states in the CDW phase. We identify the mechanism for CDW melting in the ensuing real-time dynamics and show that it strongly depends on the type of initial state. We focus on the far-from-equilibrium regime and emphasize the role of electron-phonon coupling rather than dominant electronic correlations, thus complementing a previous study of photoinduced CDW melting [H. Hashimoto and S. Ishihara, Phys. Rev. B 96, 035154 (2017)]. The numerical simulations are performed by means of matrix-product-state based methods with a local basis optimization (LBO). Within these techniques, one rotates the local (bosonic) Hilbert spaces adaptively into an optimized basis that can then be truncated while still maintaining a high precision. In this work, we extend the time-evolving block decimation (TEBD) algorithm with LBO, previously applied to single-polaron dynamics, to a half-filled system. We demonstrate that in some parameter regimes, a conventional TEBD method without LBO would fail. Furthermore, we introduce and use a ground-state density-matrix renormalization group method for electron-phonon systems using local basis optimization. In our examples, we account for up to Mph=40{M}_{\mathrm{ph}}=40Mph​=40 bare phonons per site by working with O(10)O(10)O(10) optimal phonon modes.