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Physical review. B, Condensed matter

Gutzwiller wave function for a model of strongly interacting bosons

Werner Krauth, Michel Caffarel, Jean‐Philippe Bouchaud

Published Feb 1, 1992• 234 citations
Publisher

Abstract

We study a model of strongly interacting lattice bosons with a Gutzwiller-type wave function that contains only on-site correlations. The variational energy and the condensate fraction associated with the variational wave function are exactly evaluated for both finite and infinite systems and compared with exact quantum Monte Carlo results in two dimensions. This ansatz for the wave function gives the correct qualitative picture of the phase diagram of this system; at commensurate densities, this system enters a Mott-insulator phase for large values of the interaction.

DOI
10.1103/physrevb.45.3137

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We study a model of strongly interacting lattice bosons with a Gutzwiller-type wave function that contains only on-site correlations. The variational energy and the condensate fraction associated with the variational wave function are exactly evaluated for both finite and infinite systems and compared with exact quantum Monte Carlo results in two dimensions. This ansatz for the wave function gives the correct qualitative picture of the phase diagram of this system; at commensurate densities, this system enters a Mott-insulator phase for large values of the interaction.
We apply Gutzwiller's variational method to the interacting Bose lattice gas. In contrast with the Fermi case, the Gutzwiller wave function for bosons can be treated with no further approximation in several limits. Furthermore, this wave function can be shown to be exact for large dimensionality, and also in arbitrary dimension for suitably chosen short-range interactions. At densities commensurate with the lattice, a superfluid-insulator transition is found. These results are compared with the fermionic case, and are applied to several interacting-boson systems.
The first reliable analytic calculation of the phase diagram of the bose gas on a d-dimensional lattice with on-site repulsion is presented. In one dimension, the analytic calculation is in excellent agreement with the numerical Monte Carlo results. In higher dimensions, the deviations from the Monte Carlo calculations are larger, but the correct shape of the Mott insulator lobes is still obtained. Explicit expressions for the energy of the Mott and the “defect” phase are given in a strong-coupling expansion. Typeset using REVTEX 1 Strongly interacting quantum systems continue to challenge theoretical physics. Fermionic examples of strong correlations include high temperature superconductors, heavy fermion materials and metal-insulator transitions. The study of these systems has been confined to either numerical simulations which are plagued by finite-size effects (with the notable exception of the infinite-dimensional expansion) or uncontrollable approximations. Similar problems arise in strongly interacting bosonic systems which have attracted a lot of
We present numerical simulations on a lattice model of bosons in two dimensions using a path integral quantum Monte Carlo algorithm. At finite temperature we observe the Kosterlitz-Thouless transition and by a finite-size analysis determine the transition temperature. In the limit of zero temperature we find two distinct phases: at a special commensurate density (number of bosons integer multiple of the number of sites), the system is superfluid for small values of the interaction, but the superfluidity vanishes at a critical value of the interaction and the system becomes a Mott insulator. For an incommensurate density, the system remains superfluid at all values of the repulsive interaction between bosons. The superfluid density, however, vanishes as a commensurate density is approached for sufficiently large interaction. We estimate the critical exponents for these transitions.
We investigate the properties of strongly interacting bosons in two dimensions at zero temperature using mean-field theory, a variational ansatz for the ground-state wave function, and Monte Carlo methods. With on-site and short-range interactions a rich phase diagram is obtained. Apart from the homogeneous superfluid and Mott-insulating phases, inhomogeneous charge-density wave phases appear, that are stabilized by the finite-range interaction. Furthermore, our analysis demonstrates the existence of a supersolid phase, in which both long-range order (related to the charge-density wave) and off-diagonal long-range order coexist. We also obtain the critical exponents for the various phase transitions.
Various types of superfluid-insulator transitions are investigated for two-component lattice boson systems in two dimensions with on-site hard-core repulsion and the component-dependent intersite interaction. The mean-field phase diagram is obtained by the Gutzwiller-type variational technique. Various ground-state properties are also studied by the quantum Monte Carlo method. Our model exhibits two types of diagonal long-range orders; the density order around the density n =1/2 and the Ising-type component order near n =1. In contrast to the Gutzwiller results, the Monte Carlo results show that the continuous growth of the component correlation severely suppresses the superfluidity as well as the inverse of the effective mass in the critical region of the component order transition. We propose a mechanism of this mass enhancement observed even far from the Mott insulating filling n =1, when the Ising-type component order persists into n ≠1. Possible relevance of this type of mass enhancement in other systems is also discussed.
In order to develop our theoretical understanding of the superconducting state of strongly correlated electron systems, we investigate the many-body ground state of the attractive Hubbard model in infinite dimensions using the Gutzwiller-type projected BCS variational (GBCS) wave function. We first calculate various physical quantities by numerically evaluating analytical equations for systems in the thermodynamic limit. We then show that the GBCS wave function has the lowest energy when the gap parameter has a mixture of s wave and extended s wave pairing symmetry and that the ground state energy of the GBCS is lower than that of either the BCS or Fermi liquid at any electron density and any strength of the attractive interactions in our model. We also show that with infinite strength interactions, each pair of electrons with opposite spins forms a tightly bound pair on a lattice site (BEC-like state). We find a smooth crossover from a BCS-like state with large, overlapping Cooper pairs (for weakly attractive interactions) to a BEC-like state of composite bosons formed out of the tightly bound pairs of fermions (for strongly attractive interactions).