We investigate the harmonic-trap control of size and shape of Mott regions in the Fermi Hubbard model on a square optical lattice. The use of Lanczos diagonalization on clusters with twisted boundary conditions, followed by an average over 50-80 samp
les, drastically reduce finite-size effects in some ground state properties; calculations in the grand canonical ensemble together with a local-density approximation (LDA) allow us to simulate the radial density distribution. We have found that as the trap closes, the atomic cloud goes from a metallic state, to a Mott core, and to a Mott ring; the coverage of Mott atoms reaches a maximum at the core-ring transition. A `phase diagram in terms of an effective density and the on-site repulsion is proposed, as a guide to maximize the Mott coverage. We also predict that the usual experimentally accessible quantities, the global compressibility and the average double occupancy (rather, its density derivative) display detectable signatures of the core-ring transition. Some spin correlation functions are also calculated, and predict the existence Neel ordering within Mott cores and rings.
We have examined the behavior of the compressibility, the dc-conductivity, the single-particle gap, and the Drude weight as probes of the density-driven metal-insulator transition in the Hubbard model on a square lattice. These quantities have been o
btained through determinantal quantum Monte Carlo simulations at finite temperatures on lattices up to 16 X 16 sites. While the compressibility, the dc-conductivity, and the gap are known to suffer from `closed-shell effects due to the presence of artificial gaps in the spectrum (caused by the finiteness of the lattices), we have established that the former tracks the average sign of the fermionic determinant (<sign>), and that a shortcut often used to calculate the conductivity may neglect important corrections. Our systematic analyses also show that, by contrast, the Drude weight is not too sensitive to finite-size effects, being much more reliable as a probe to the insulating state. We have also investigated the influence of the discrete imaginary-time interval (Deltatau) on <sign>, on the average density (rho), and on the double occupancy (d): we have found that <sign> and rho are more strongly dependent on Delta tau away from closed-shell configurations, but d follows the Deltatau^2 dependence in both closed- and open-shell cases.
A major challenge in realizing antiferromagnetic (AF) and superfluid phases in optical lattices is the ability to cool fermions. We determine the equation of state for the 3D repulsive Fermi-Hubbard model as a function of the chemical potential, temp
erature and repulsion using unbiased determinantal quantum Monte Carlo methods, and we then use the local density approximation to model a harmonic trap. We show that increasing repulsion leads to cooling, but only in a trap, due to the redistribution of entropy from the center to the metallic wings. Thus, even when the average entropy per particle is larger than that required for antiferromagnetism in the homogeneous system, the trap enables the formation of an AF Mott phase.
We have considered the half-filled disordered attractive Hubbard model on a square lattice, in which the on-site attraction is switched off on a fraction $f$ of sites, while keeping a finite $U$ on the remaining ones. Through Quantum Monte Carlo (QMC
) simulations for several values of $f$ and $U$, and for system sizes ranging from $8times 8$ to $16times 16$, we have calculated the configurational averages of the equal-time pair structure factor $P_s$, and, for a more restricted set of variables, the helicity modulus, $rho_s$, as functions of temperature. Two finite-size scaling {it ansatze} for $P_s$ have been used, one for zero-temperature and the other for finite temperatures. We have found that the system sustains superconductivity in the ground state up to a critical impurity concentration, $f_c$, which increases with $U$, at least up to U=4 (in units of the hopping energy). Also, the normalized zero-temperature gap as a function of $f$ shows a maximum near $fsim 0.07$, for $2lesssim Ulesssim 6$. Analyses of the helicity modulus and of the pair structure factor led to the determination of the critical temperature as a function of $f$, for $U=3,$ 4 and 6: they also show maxima near $fsim 0.07$, with the highest $T_c$ increasing with $U$ in this range. We argue that, overall, the observed behavior results from both the breakdown of CDW-superconductivity degeneracy and the fact that free sites tend to push electrons towards attractive sites, the latter effect being more drastic at weak couplings.
