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Register a new userDominant charge-density-wave correlations in the Holstein model on the half-filled square lattice
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We use an unbiased, continuous-time quantum Monte Carlo method to address the possibility of a zero-temperature phase without charge-density-wave (CDW) order in the Holstein and, by extension, the Holstein-Hubbard model on the half-filled square lattice. In particular, we present results spanning the whole range of phonon frequencies, allowing us to use the well understood adiabatic and antiadiabatic limits as reference points. For all parameters considered, our data suggest that CDW correlations are stronger than pairing correlations even at very low temperatures. These findings are compatible with a CDW ground state that is also suggested by theoretical arguments.
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The electron-phonon (e-ph) interaction remains of great interest in condensed matter physics and plays a vital role in realizing superconductors, charge-density-waves (CDW), and polarons. We study the two-dimensional Holstein model for e-ph coupling using determinant quantum Monte Carlo across a wide range of its phase diagram as a function of temperature, electron density, dimensionless e-ph coupling strength, and the adiabatic ratio of the phonon frequency to the Fermi energy. We describe the behavior of the CDW correlations, the competition between superconducting and CDW orders and polaron formation, the optimal conditions for superconductivity, and the transition from the weak-coupling regime to the strong-coupling regime. Superconductivity is optimized at intermediate e-ph coupling strength and intermediate electron density, and the superconducting correlations increase monotonically with phonon frequency. The global maximum for superconductivity in the Holstein model occurs at large phonon frequency, the limit where an attractive Hubbard model effectively describes the physics.
Over the past several years, reliable Quantum Monte Carlo results for the charge density wave transition temperature $T_{cdw}$ of the half-filled two dimensional Holstein model in square and honeycomb lattices have become available for the first time. Exploiting the further development of numerical methodology, here we present results in three dimensions, which are made possible through the use of Langevin evolution of the quantum phonon degrees of freedom. In addition to determining $T_{cdw}$ from the scaling of the charge correlations, we also examine the nature of charge order at general wave vectors for different temperatures, couplings, and phonon frequencies, and the behavior of the spectral function and specific heat.
A pair-density-wave (PDW) is a novel superconducting state with an oscillating order parameter. A microscopic mechanism that can give rise to it has been long sought but has not yet been established by any controlled calculation. Here we report a density-matrix renormalization group (DMRG) study of an effective $t$-$J$-$V$ model, which is equivalent to the Holstein-Hubbard model in a strong-coupling limit, on long two-, four- and six-leg triangular cylinders. While a state with long-range PDW order is precluded in one dimension, we find strong quasi-long-range PDW order with a divergent PDW susceptibility as well as spontaneous breaking of time-reversal and inversion symmetries. Despite the strong interactions, the underlying Fermi surfaces and electron pockets around the $K$ and $K^prime$ points in the Brillouin zone can be identified. We conclude that the state is valley-polarized and that the PDW arises from intra-pocket pairing with an incommensurate center of mass momentum. In the two-leg case, the exponential decay of spin correlations and the measured central charge $capprox 1$ are consistent with an unusual realization of a Luther-Emery liquid.
Tight binding models like the Hubbard Hamiltonian are most often explored in the context of uniform intersite hopping $t$. The electron-electron interactions, if sufficiently large compared to this translationally invariant $t$, can give rise to ordered magnetic phases and Mott insulator transitions, especially at commensurate filling. The more complex situation of non-uniform $t$ has been studied within a number of situations, perhaps most prominently in multi-band geometries where there is a natural distinction of hopping between orbitals of different degree of overlap. In this paper we explore related questions arising from the interplay of multiple kinetic energy scales and electron-phonon interactions. Specifically, we use Determinant Quantum Monte Carlo (DQMC) to solve the half-filled Holstein Hamiltonian on a `decorated honeycomb lattice, consisting of hexagons with internal hopping $t$ coupled together by $t^{,prime}$. This modulation of the hopping introduces a gap in the Dirac spectrum and affects the nature of the topological phases. We determine the range of $t/t^{,prime}$ values which support a charge density wave (CDW) phase about the Dirac point of uniform hopping $t=t^{,prime}$, as well as the critical transition temperature $T_c$. The QMC simulations are compared with the results of Mean Field Theory (MFT).
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 $t$, the on-site electron-electron interaction $U$, the phonon energy $omega_0$, and the electron-phonon coupling $g$. At half filling, the ground state is an antiferromagnetic insulator for $U gtrsim 2g^2/omega_0$, while it is a charge-density-wave (or bi-polaronic) insulator for $U lesssim 2g^2/omega_0$. In addition to these phases, we find a superconducting phase that intrudes between them. For $omega_0/t=1$, superconductivity emerges when both $U/t$ and $2g^2/tomega_0$ are small; then, by increasing the value of the phonon energy $omega_0$, 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.
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