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arXiv:cond-mat/9612098 · Journal of Physics A Mathematical and General

Uncertainty principle enhanced pairing correlations in projected Fermi systems near half filling

B Sriram Shastry

Published Sep 21, 1997• 7 citations
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Abstract

We point out the curious phenomenon of order by projection in a class of lattice Fermi systems near half filling. Enhanced pairing correlations of extended s-wave Cooper pairs result from the process of projecting out s-wave Cooper pairs, with negligible effect on the ground-state energy. The Hubbard model is a particularly nice example of the above phenomenon, which is revealed with the use of rigorous inequalities including the uncertainty principle inequality. In addition, we present numerical evidence that at half filling a related but simplified model shows off-diagonal long range order (ODLRO) of extended s-wave Cooper pairs.

DOI
10.1088/0305-4470/30/18/005

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We point out the curious phenomenon of order by projection in a class of lattice Fermi systems near half filling. Enhanced pairing correlations of extended s-wave Cooper pairs result from the process of projecting out s-wave Cooper pairs, with negligible effect on the ground-state energy. The Hubbard model is a particularly nice example of the above phenomenon, which is revealed with the use of rigorous inequalities including the uncertainty principle inequality. In addition, we present numerical evidence that at half filling a related but simplified model shows off-diagonal long range order (ODLRO) of extended s-wave Cooper pairs.
We point out the curious phenomenon of order by projection in a class of lattice Fermi systems near half filling. Enhanced pairing correlations of extended s-wave Cooper pairs result from the process of projecting out s-wave Cooper pairs, with negligible effect on the ground state energy. The Hubbard model is a particularly nice example of the above phenomenon, which is revealed with the use of rigorous inequalities including the Uncertainty Principle Inequality In addition, we present numerical evidence that at half filling, a related but simplified model shows ODLRO of extended s-wave Cooper pairs.
In a Fermi system near or at half-filling, a specific superconducting pairing channel, if not explicitly included in the Hamiltonian, can be boosted by suppressing a competing pairing channel; this is exemplified by the enhancement of extended sss-wave correlations upon suppressing sss-wave Cooper pairing. This phenomenon, originally found by the use of generalized uncertainty relations is referred to as order by projection. The case of zero on-site Coulomb interaction in the thermodynamic limit, confirms this mechanism through the analytical solution. In this study, we go further and systematically investigate this mechanism for a strongly correlated fermionic Hubbard model, now with finite on-site interaction, on a square lattice with an extended set of hopping parameters. We explore the behaviors of different pairing channels when one of them is suppressed, utilizing density matrix renormalization group calculations. Our findings provide numerical evidence supporting the existence of order by projection in the strongly correlated system we studied. We also investigate the effect of the strength of Hubbard UUU, next-nearest-neighbor ${t}^{\ensuremath{'}}$, hole doping, as well as finite-size scaling approaching the thermodynamic limit.
Superconducting correlation of the Hubbard model on a square lattice is reinvestigated by quantum Monte Carlo method. Results from more than one order of magnitude larger Monte Carlo steps than before are presented to discuss the convergence of the data to the ground state. By examining the dependence on the choice of initial trial states as well as on the Trotter number in detail, the superconducting correlation in the ground state is reliably obtained up to 12×12 lattice away from the half-filling and up to 16×16 lattice at the half-filling, which substantially improve former results near the half-filling. Various channels of pairing in the ground state show no system size dependence and remain quite short ranged at any filling including the region close to the half-filling. Numerical data show further evidence that neither extended s - nor d -wave superconducting state is possible in the two-dimensional Hubbard model.
This letter presents a new class of variational wavefunctions for Fermi systems in any dimension. These wavefunctions introduce correlations between Cooper pairs in different momentum states and the relevant correlations can be computed analytically. At half filling we have a ground state with critical superconducting correlations, that causes negligible increase of the kinetic energy. We find large enhancements in a Cooper-pair correlation function caused purely by the interplay between the uncertainty principle, repulsion and the proximity of half filling. This is surprising since there is no accompanying signature in usual charge and spin response functions, and typifies a novel kind of many-body cooperative behaviour.
The quantum Monte Carlo method is used to reexamine superconductivity in the single-band Hubbard model in two dimensions. Instead of the conventional pairing, we consider a ``correlated pairing,'' 〈c-${\mathrm{tilde}}_{\mathrm{i}\mathrm{\ensuremath{\uparrow}}}$c-${\mathrm{tilde}}_{{\mathrm{i}}^{|\mathrm{I}\mathrm{H}}\mathrm{\ensuremath{\downarrow}}}$〉 with c-${\mathrm{tilde}}_{\mathrm{i}\mathrm{\ensuremath{\sigma}}}$\ensuremath{\equiv}${\mathrm{c}}_{\mathrm{i}\mathrm{\ensuremath{\sigma}}}$(1-${\mathrm{n}}_{\mathrm{i}\mathrm{\ensuremath{-}}\mathrm{\ensuremath{\sigma}}}$), which is inferred from the t-J model, the strong-coupling limit of the Hubbard model. The pairing in the d-wave channel is found to possess both a divergence like 1/T in the pairing susceptibility and a growth of the ground-state pairing correlation with sample size, indicating an off-diagonal long-range order near (but not exactly at) half-filling.
We investigate the ionic Hubbard model (IHM) at half-filling in the limit of strong correlations and large ionic potential. The low-energy effective Hamiltonian in this limit, obtained by a similarity transformation, is a modified $t\ensuremath{-}J$ model with effective second-neighbor hopping terms. We explore the possibilities of ddd-wave pairing and extended sss-wave pairing superconducting (SC) phases on a two-dimensional square lattice at zero temperature within a Gutzwiller projected renormalized mean-field theory. In the sector of solutions that forbid spin-ordering, the system shows a finite nonzero ddd-wave as well as extended sss-wave pairing amplitude for $\mathrm{\ensuremath{\Delta}}\ensuremath{\sim}U\ensuremath{\gg}t$. The width of the superconducting phase in $U\ensuremath{-}\mathrm{\ensuremath{\Delta}}$ regime shrinks with increase in UUU and $\mathrm{\ensuremath{\Delta}}$, though the extended sss-wave pairing phase is higher in energy than the ddd-wave pairing superconducting phase. But in a spin-resolved renormalized mean-field calculation, which allows for an antiferromagnetic (AF) order along with the ddd-wave or extended sss-wave pairing, the SC phase is no longer viable and the system shows a direct transition from an AF ordered phase to a paramagnetic band insulator. Except for a thin sliver of a half-metallic AF phase close to the AF transition point, most of the AF ordered phase is a Mott insulator. We benchmarked the AF Mott insulator to band insulator transition within the Gutzwiller projected renormalized mean-field theory against the dynamical mean-field theory solved using continuous time quantum Monte Carlo. Our work suggests that the ground-state phase diagram of the IHM at half-filling in the limit of extreme correlations does not have any SC phase. The SC phase seen in the paramagnetic sector is a metastable phase, being higher in energy than the AF Mott insulator phase.