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Journal of the Physical Society of Japan

Quantum Monte Carlo Study of the Quasi-One-Dimensional Many Bipolaron System

Shu-ichi Nagasawa, Kazuo Hida

Published Oct 15, 1988• 1 citation
Publisher

Abstract

The low temperature behavior of the quasi-one-dimensional many bipolaron system is investigated by the quantum Monte Carlo simulation treating the interchain coupling by the mean field approximation. In the non-half-filled case, it is found that the superconductivity can coexist with the CDW. The coexisting CDW can have either the wave length twice the lattice constant or half the fermi wave length. The former appears only in the coexistence region with the superconductivity, while the latter either appears alone or coexists with the superconductivity.

DOI
10.1143/jpsj.57.3506

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The low temperature behavior of the quasi-one-dimensional many bipolaron system is investigated by the quantum Monte Carlo simulation treating the interchain coupling by the mean field approximation. In the non-half-filled case, it is found that the superconductivity can coexist with the CDW. The coexisting CDW can have either the wave length twice the lattice constant or half the fermi wave length. The former appears only in the coexistence region with the superconductivity, while the latter either appears alone or coexists with the superconductivity.
The Holstein Hamiltonian describes fermions hopping on a lattice and interacting locally with dispersionless phonon degrees of freedom. In the low-density limit, dressed quasiparticles, polarons and bipolarons, propagate with an effective mass. At higher densities, pairs can condense into a low-temperature superconducting phase and, at or near commensurate filling on a bipartite lattice, to charge density wave (CDW) order. CDW formation breaks a discrete symmetry and hence occurs via a second-order (Ising) transition and therefore at a finite Tcdw{T}_{\mathrm{cdw}}Tcdw​ in two dimensions. Quantum Monte Carlo calculations have determined Tcdw{T}_{\mathrm{cdw}}Tcdw​ for a variety of geometries, including square, honeycomb, and Lieb lattices. The superconducting transition, on the other hand, in d=2d=2d=2 is in the Kosterlitz-Thouless universality class and is much less well characterized. In this paper we determine Tsc{T}_{\mathrm{sc}}Tsc​ for the square lattice for several values of the density $\ensuremath{\rho}$ and phonon frequency ${\ensuremath{\omega}}_{0}$. We find that quasilong-range order sets in at ${T}_{\mathrm{sc}}\ensuremath{\lesssim}t/20$, where ttt is the near-neighbor hopping amplitude, consistent with previous rough estimates from simulations which extrapolated to only the temperatures we reach from considerably higher TTT. We also show evidence of a discontinuous evolution of the density as the CDW transition is approached at half filling.
We investigate superconductivity in a quasi-one-dimensional bipolaron system with random potentials, treating the interchain Josephson couplings in the mean-field approximation. The model is transformed into the S=(1/2 XXZ-spin chain with random fields along the z axis and the ordering field along the x axis. Using the quantum transfer-matrix method by the Suzuki-Trotter formula, we calculate the order parameter and the rigidity as functions of the temperature, the mean strength of the random fields, and the ordering field. We obtain the two-parameter scaling laws for these quantities. We also discuss these scaling relations by using the cumulant expansion in the phase Hamiltonian. This analytical method is extended to the more general models of one-dimensional interacting electrons, and the generalized susceptibilities for various long-range orderings are discussed in the light of the scaling laws.
We present quantum Monte Carlo results for a two-dimensional electron-phonon model. At half filling, a Peierls--charge-density-wave (CDW) instability dominates the behavior of the system and suppresses superconductivity. The CDW structure factor scales with system size and is consistent with a finite-size Ising-like scaling analysis which we use to estimate Tc{\mathit{T}}_{\mathit{c}}Tc​ for the Peierls-CDW transition. Away from half filling, the Monte Carlo calculations show superconducting pairing in an s-wave channel, with a peak in the pair field susceptibility near a region in which there are strong Peierls-CDW correlations.
We investigate the effects of the randomness and electron-electron interactions on the competition between superconductivity and charge density wave in one-dimensional bipolaron system in the half-filled case at finite temperatures. The model is transformed into the S =1/2 XXZ-chain with random fields, and we carry out the numerical simulation using the transfer matrix by Suzuki-Trotter formula. When the interaction between neighboring bipolarons is attractive, the suppression of the correlation functions is described by the scaling law. This result is discussed in connection with the Fukuyama-Lee length including the quantum fluctuations. When the interaction is repulsive, weak randomness suppresses the charge density wave and enhances the superconductivity, but strong randomness suppresses both.
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