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Physica Scripta

Monte Carlo Simulation of a Hubbard Chain with Disorder

A. Muramatsu, Werner R. Hanke

Published Jan 1, 1986• 5 citations
Publisher

Abstract

We study the effect of diagonal disorder on a one-dimensional (1-D) Hubbard model by means of a Monte Carlo simulation. Contrary to previous analytical studies of interacting disordered systems in one dimension, the numerical simulation is not restricted to the weak coupling regime in disorder and/or interaction. Quantum fluctuations are introduced using the scheme developed by J. Hirsch [Phys. Rev. B 31, 4403 (1985)] for Grand Canonical ensembles and arbitrary dimensions. A second Monte Carlo loop creates the configurations for the disorder potential. Preliminary results for various correlation functions are presented.

DOI
10.1088/0031-8949/1986/t13/052

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We study the effect of diagonal disorder on a one-dimensional (1-D) Hubbard model by means of a Monte Carlo simulation. Contrary to previous analytical studies of interacting disordered systems in one dimension, the numerical simulation is not restricted to the weak coupling regime in disorder and/or interaction. Quantum fluctuations are introduced using the scheme developed by J. Hirsch [Phys. Rev. B 31, 4403 (1985)] for Grand Canonical ensembles and arbitrary dimensions. A second Monte Carlo loop creates the configurations for the disorder potential. Preliminary results for various correlation functions are presented.
The influence of local disorder on the thermodynamics of interacting electrons is studied within the infinite-dimensional disordered Hubbard model.Using a finite-temperature quantum Monte Carlo method, the averaged local moment and staggered susceptibility are calculated and the magnetic phase diagram at half-filling is constructed.From the averaged compressibility in the paramagnetic and antiferromagnetic phase we determine the metalinsulator transitions of the system.A rich transition scenario is revealed.Quite unexpectedly the disorder is found to stabilize the magnetic order in the strong-coupling limit.Randomness can significantly influence the low-temperature behaviour of interacting systems.In particular, it may lead to new phases which have no analogue in non-random systems [l].In the case of electrons, the simplest lattice model including both interactions and random potentials is the disordered Hubbard model.It is now known that even in the .mean-field.limit d + CQ [2,3] the Hubbard interaction remains dynamical [4] and leads to a highly non-trivial single-site problem with infinitely many coupled quantum degrees of freedom [5].This problem is, in fact, equivalent to an Anderson impurity model complemented by a self-consistency condition [6] and is thus amenable to numerical investigations [7] within a finite-temperature quantum Monte Carlo approach [81.In the absence of disorder this technique was already used by several groups to investigate the magnetic phase diagram [7,9], the Mott-Hubbard transition [lo, 1 1 1 and lately also superconductivity in a two-band version [12] of the Hubbard model in d = C Q ; thereby important new insight was gained.In this letter we wish to concentrate on the combined effect of disorder and interaction.We will study the effect of diagonal disorder on the low-temperature properties of the Hubbard model in d = CQ , in particular the competition between correlation-induced
We investigate the superfluid-insulator transition in the disordered two-dimensional Bose-Hubbard model through quantum Monte Carlo simulations. The Bose-Hubbard model is studied in the presence of site disorder, and the quantum critical point between the Bose glass and superfluid is determined in the grand canonical ensemble at $\ensuremath{\mu}/U=0$ (close to $\ensuremath{\rho}=0.5$), $\ensuremath{\mu}/U=0.375$ (close to $\ensuremath{\rho}=1$), and $\ensuremath{\mu}/U=1$ as well as in the canonical ensemble at $\ensuremath{\rho}=0.5$ and 1. Particular attention is paid to disorder averaging, and it is shown that a large number of disorder realizations are needed in order to obtain reliable results. Typically, more than 100000100\phantom{\rule{0.16em}{0ex}}000100000 disorder realizations were used. In the grand canonical ensemble, we find Ztc/U=0.112(1)Z{t}_{c}/U=0.112(1)Ztc​/U=0.112(1) with $\ensuremath{\mu}/U=0.375$, significantly different from previous studies. When compared to the critical point in the absence of disorder (Ztc/U=0.2385Z{t}_{c}/U=0.2385Ztc​/U=0.2385), this result confirms previous findings showing that disorder enlarges the superfluid region. At the critical point, we then study the dynamic conductivity.
A one-dimensional model of electrons locally coupled to spin-1/2 degrees of freedom is studied by numerical techniques. The model is one in the class of dynamic Hubbard models that describe the relaxation of an atomic orbital upon double-electron occupancy due to electron-electron interactions. We study the parameter regime where pairing occurs in this model by exact diagonalization of small clusters. World-line quantum Monte Carlo simulations support the results of exact diagonalization for larger systems and show that the kinetic energy is lowered when pairing occurs. The qualitative physics of this model and others in its class, obtained through approximate analytic calculations, is that superconductivity occurs through hole undressing even in parameter regimes where the effective on-site interaction is strongly repulsive. Our numerical results confirm the expected qualitative behavior and show that pairing will occur in a substantially larger parameter regime than predicted by the approximate low-energy effective Hamiltonian.
We report preliminary results of an investigation of the thermodynamic properties of the extended Hubbard model in one- dimension, calculated with the world-line Monte Carlo method described by Hirsch et al. With strictly continuous world-lines, we are able to measure the expectation of operators that conserve fermion number locally, such as the energy and (spatial) occupation number. By permitting the world-lines to be broken'' stochastically, we may also measure the expectation of operators that conserve fermion number only globally, such as the single-particle Green's function. For a 32 site lattice we present preliminary calculations of the average electron occupancy as a function of wavenumber when U = 4, V = 0 and {beta} = 16. For a half-filled band we find no indications of a Fermi surface. Slightly away from half-filling, we find Fermi-surface-like behavior similar to that found in other numerical investigations. 8 refs., 3 figs.
Correlations of a one-dimensional doubly degenerate Hubbard model are studied for the one-quarter-filled case. Exact calculations on a four-site lattice show that a ferromagnetic state exists in the strong-coupling regime. For a one-dimensional chain, a strong-coupling effective Hamiltonian was studied using a self-consistent calculation, a high-temperature expansion, and quantum Monte Carlo simulations. The results provide information on the parameters needed for ferromagnetic correlations, and the temperature dependence of the spin and orbital correlations.