arXiv subjects

R. T. Scalettar

Publications and source records attributed to R. T. Scalettar.

At least 73 records · Page 4Linked to original sources

arXiv2009

Parquet approximation for the 4x4 Hubbard cluster

We present a numerical solution of the parquet approximation (PA), a conserving diagrammatic approach which is self-consistent at both the single-particle and the two-particle levels. The fully irreducible vertex is approximated by the bare interaction thus producing the simplest approximation that one can perform with the set of equations involved in the formalism. The method is applied to the Hubbard model on a half-filled 4x4 cluster. Results are compared to those obtained from Determinant Quantum Monte Carlo (DQMC), FLuctuation EXchange (FLEX), and self-consistent second-order approximation methods. This comparison shows a satisfactory agreement with DQMC and a significant improvement over the FLEX or the self-consistent second-order approximation.

cond-mat.str-el↗

arXiv2009

Magnetic and Superfluid Transitions in the d=1 Spin-1 Boson Hubbard Model

The interplay between magnetism and metal-insulator transitions is fundamental to the rich physics of the single band fermion Hubbard model (FHM). Recent progress in experiments on trapped ultra-cold atoms have made possible the exploration of similar effects in the boson Hubbard model (BHM). This paper reports Quantum Monte Carlo (QMC) simulations of the spin-1 BHM in the ground state. In the case of antiferromagnetic interactions, which favor singlet formation within the Mott insulator lobes, we present exact numerical evidence that the superfluid-insulator phase transition is first (second) order depending on whether the Mott lobe is even (odd). In the ferromagnetic case, the transitions are all continuous. We obtain the phase diagram in the case of attractive spin interactions and demonstrate the existence of the ferromagnetic superfluid. We also compare the QMC phase diagram with a third order perturbation calculation.

cond-mat.other↗

arXiv2008

Superfluid and Mott Insulator phases of one-dimensional Bose-Fermi mixtures

We study the ground state phases of Bose-Fermi mixtures in one-dimensional optical lattices with quantum Monte Carlo simulations using the Canonical Worm algorithm. Depending on the filling of bosons and fermions, and the on-site intra- and inter-species interaction, different kinds of incompressible and superfluid phases appear. On the compressible side, correlations between bosons and fermions can lead to a distinctive behavior of the bosonic superfluid density and the fermionic stiffness, as well as of the equal-time Green functions, which allow one to identify regions where the two species exhibit anticorrelated flow. We present here complete phase diagrams for these systems at different fillings and as a function of the interaction parameters.

cond-mat.stat-mech↗

arXiv2008

Monte Carlo Study of an Inhomogeneous Blume-Capel Model

Systems of particles in a confining potential exhibit a spatially dependent density which fundamentally alters the nature of phase transitions that occur. A specific instance of this situation, which is being extensively explored currently, concerns the properties of ultra-cold, optically trapped atoms. Of interest is how the superfluid-insulator transition is modified by the inhomogeneity, and, indeed, the extent to which a sharp transition survives at all. This paper explores a classical analog of these systems, the Blume-Capel model with a spatially varying single ion anisotropy and/or temperature gradient. We present results both for the nature of the critical properties and for the validity of the "local density approximation" which is often used to model the inhomogeneous case. We compare situations when the underlying uniform transition is first and second order.

cond-mat.stat-mech↗

arXiv2008

Quantum Monte Carlo study of the visibility of one-dimensional Bose-Fermi mixtures

The study of ultracold optically trapped atoms has opened new vistas in the physics of correlated quantum systems. Much attention has now turned to mixtures of bosonic and fermionic atoms. A central puzzle is the disagreement between the experimental observation of a reduced bosonic visibility ${\cal V}_b$, and quantum Monte Carlo (QMC) calculations which show ${\cal V}_b$ increasing. In this paper, we present QMC simulations which evaluate the density profiles and ${\cal V}_b$ of mixtures of bosons and fermions in one-dimensional optical lattices. We resolve the discrepancy between theory and experiment by identifying parameter regimes where ${\cal V}_b$ is reduced, and where it is increased. We present a simple qualitative picture of the different response to the fermion admixture in terms of the superfluid and Mott-insulating domains before and after the fermions are included. Finally, we show that ${\cal V}_b$ exhibits kinks which are tied to the domain evolution present in the pure case, and also additional structure arising from the formation of boson-fermion molecules, a prediction for future experiments.

cond-mat.quant-gas↗

arXiv2008

Disordered two-dimensional superconductors: roles of temperature and interaction strength

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 $8\times 8$ to $16\times 16$, 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, $ρ_s$, 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 $f\sim 0.07$, for $2\lesssim U\lesssim 6$. 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 $f\sim 0.07$, 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.

cond-mat.supr-con↗

arXiv2008

Canonical Trajectories and Critical Coupling of the Bose-Hubbard Hamiltonian in a Harmonic Trap

Quantum Monte Carlo (QMC) simulations and the Local Density Approximation (LDA) are used to map the constant particle number (canonical) trajectories of the Bose Hubbard Hamiltonian confined in a harmonic trap onto the $(μ/U,t/U)$ phase diagram of the uniform system. Generically, these curves do not intercept the tips of the Mott insulator (MI) lobes of the uniform system. This observation necessitates a clarification of the appropriate comparison between critical couplings obtained in experiments on trapped systems with those obtained in QMC simulations. The density profiles and visibility are also obtained along these trajectories. Density profiles from QMC in the confined case are compared with LDA results.

cond-mat.other↗

arXiv2008

Magnetic and Transport Properties of a Coupled Hubbard Bilayer with Electron and Hole Doping

The single band, two dimensional Hubbard Hamiltonian has been extensively studied as a model for high temperature superconductivity. While Quantum Monte Carlo simulations within the dynamic cluster approximation are now providing considerable evidence for a d-wave superconducting state at low temperature, such a transition remains well out of reach of finite lattice simulations because of the "sign problem". We show here that a bilayer Hubbard model, in which one layer is electron doped and one layer is hole doped, can be studied to lower temperatures and exhibits an interesting signal of d-wave pairing. The results of our simulations bear resemblance to a recent report on the magnetic and superconducting properties of Ba$_2$Ca$_3$Cu$_4$O$_8$F$_2$ which contains both electron and hole doped CuO$_2$ planes. We also explore the phase diagram of bilayer models in which each sheet is at half-filling.

cond-mat.str-el↗

arXiv2007

s-wave Superconductivity Phase Diagram in the Inhomogeneous Two-Dimensional Attractive Hubbard Model

We study s-wave superconductivity in the two-dimensional square lattice attractive Hubbard Hamiltonian for various inhomogeneous patterns of interacting sites. Using the Bogoliubov-de Gennes (BdG) mean field approximation, we obtain the phase diagram for inhomogeneous patterns in which the on-site attractive interaction U_i between the electrons takes on two values, U_i=0 and -U/(1-f) (with f the concentration of non-interacting sites) as a function of average electron occupation per site n, and study the evolution of the phase diagram as f varies. In certain regions of the phase diagram, inhomogeneity results in a larger zero temperature average pairing amplitude (order parameter) and also a higher superconducting (SC) critical temperature T_c, relative to a uniform system with the same mean interaction strength (U_i=-U on all sites). These effects are observed for stripes, checkerboard, and even random patterns of the attractive centers, suggesting that the pattern of inhomogeneity is unimportant. The phase diagrams also include regions where superconductivity is obliterated due to the formation of various charge ordered phases. The enhancement of T_{c} due to inhomogeneity is robust as long as the electron doping per site n is less than twice the fraction of interacting sites [2(1-f)] regardless of the pattern. We also show that for certain inhomogeneous patterns, when n = 2(1-f), increasing temperature can work against the stability of existing charge ordered phases for large f and as a result, enhance T_{c}.

cond-mat.supr-con↗

arXiv2007

Quantum Monte Carlo Study of a Dynamic Hubbard Model

The `dynamic' Hubbard Hamiltonian describes interacting fermions on a lattice whose on-site repulsion is modulated by a coupling to a fluctuating bosonic field. We investigate one such model, introduced by Hirsch, using the determinant Quantum Monte Carlo method. Our key result is that the extended s-wave pairing vertex, repulsive in the usual static Hubbard model, becomes attractive as the coupling to the fluctuating Bose field increases. The sign problem prevents us from exploring a low enough temperature to see if a superconducting transition occurs. We also observe a stabilization of antiferromagnetic correlations and the Mott gap near half-filling, and a near linear behavior of the energy as a function of particle density which indicates a tendency toward phase separation.

cond-mat.supr-con↗

arXiv2007

Exact Numerical Study of Pair Formation with Imbalanced Fermion Populations

We present an exact Quantum Monte Carlo study of the attractive 1-dimensional Hubbard model with imbalanced fermion population. The pair-pair correlation function, which decays monotonically in the absence of polarization P, develops oscillations when P is nonzero, characteristic of Fulde-Ferrell-Larkin-Ovchinnikov phase. The pair momentum distribution peaks at a momentum equal to the difference in the Fermi momenta. At strong coupling, the minority and majority momentum distributions are shown to be deformed, reflecting the presence of the other species, and its Fermi surface. The FFLO oscillations survive the presence of a confining potential, and the local polarization at the trap center exhibits a marked dip, similar to that observed experimentally.

cond-mat.str-el↗

arXiv2007

Static versus dynamic fluctuations in the one-dimensional extended Hubbard model

The extended Hubbard Hamiltonian is a widely accepted model for uncovering the effects of strong correlations on the phase diagram of low-dimensional systems, and a variety of theoretical techniques have been applied to it. In this paper the world-line quantum Monte Carlo method is used to study spin, charge, and bond order correlations of the one-dimensional extended Hubbard model in the presence of coupling to the lattice. A static alternating lattice distortion (the ionic Hubbard model) leads to enhanced charge density wave correlations at the expense of antiferromagnetic order. When the lattice degrees of freedom are dynamic (the Hubbard-Holstein model), we show that a similar effect occurs even though the charge asymmetry must arise spontaneously. Although the evolution of the total energy with lattice coupling is smooth, the individual components exhibit sharp crossovers at the phase boundaries. Finally, we observe a tendency for bond order in the region between the charge and spin density wave phases.

cond-mat.str-el↗

arXiv2007

Correlation Effects in the Triangular Lattice Single-band System Li_xNbO_2

Superconductivity in hole-doped Li_xNbO_2 has been reported with T_c ~ 5 K in the range 0.45 < x < 0.8. The electronic structure is based on a two-dimensional triangular Nb lattice. The strong trigonal crystal field results in a single Nb d(z^2) band isolated within a wide gap, leading to a single-band triangular lattice system. The isolated, partially filled band has a width W=1.5 eV with dominant second neighbor hopping. To identify possible correlation effects, we apply DMFT(QMC) using on-site Coulomb repulsion U=0-3 eV, and check selected results using determinant QMC. For U as small as 1 eV, the single particle spectrum displays a robust lower Hubbard band, suggesting the importance of correlation effects in Li_xNbO_2 even for U < W. At half-filling (x=0), a Mott transition occurs at U_c ~ 1.5 eV. Coupling between the O A_g phonon displacement and correlation effects is assessed.

cond-mat.supr-con↗

arXiv2007

Monte Carlo Simulations of an Extended Feynman-Kikuchi Model

We present Quantum Monte Carlo simulations of a generalization of the Feynman-Kikuchi model which includes the possibility of vacancies and interactions between the particles undergoing exchange. By measuring the winding number (superfluid density) and density structure factor, we determine the phase diagram, and show that it exhibits regions which possess both superfluid and charge ordering.

cond-mat.stat-mech↗

arXiv2007

Metallic phase in the two-dimensional ionic Hubbard model

We investigate the phases of the ionic Hubbard model in a two-dimensional square lattice using determinant quantum Monte Carlo (DQMC). At half-filling, when the interaction strength or the staggered potential dominate we find Mott and band insulators, respectively. When these two energies are of the same order we find a metallic region. Charge and magnetic structure factors demonstrate the presence of antiferromagnetism only in the Mott region, although the externally imposed density modulation is present everywhere in the phase diagram. Away from half-filling, other insulating phases are found. Kinetic energy correlations do not give clear signals for the existence of a bond-ordered phase.

cond-mat.str-el↗

arXiv2006

Determinant Quantum Monte Carlo Study of the Screening of the One Body Potential near a Metal-Insulator Transition

In this paper we present a determinant quantum monte carlo study of the two dimensional Hubbard model with random site disorder. We show that, as in the case of bond disorder, the system undergoes a transition from an Anderson insulating phase to a metallic phase as the onsite repulsion U is increased beyond a critical value U_c. However, there appears to be no sharp signal of this metal-insulator transition in the screened site energies. We observe that, while the system remains metallic for interaction values upto twice U_c, the conductivity is maximal in the metallic phase just beyond U_c, and decreases for larger correlation.

cond-mat.str-el↗

arXiv2006

Dynamical mean field study of the Mott transition in the half-filled Hubbard model on a triangular lattice

We employ dynamical mean field theory (DMFT) with a Quantum Monte Carlo (QMC) atomic solver to investigate the finite temperature Mott transition in the Hubbard model with the nearest neighbor hopping on a triangular lattice at half-filling. We estimate the value of the critical interaction to be $U_c=12.0 \pm 0.5$ in units of the hopping amplitude $t$ through the evolution of the magnetic moment, spectral function, internal energy and specific heat as the interaction $U$ and temperature $T$ are varied. This work also presents a comparison between DMFT and finite size determinant Quantum Monte Carlo (DQMC) and a discussion of the advantages and limitations of both methods.

cond-mat.str-el↗

arXiv2006

Supersolid phases in the one dimensional extended soft core Bosonic Hubbard model

We present results of Quantum Monte Carlo simulations for the soft core extended bosonic Hubbard model in one dimension exhibiting the presence of supersolid phases similar to those recently found in two dimensions. We find that in one and two dimensions, the insulator-supersolid transition has dynamic critical exponent z=2 whereas the first order insulator-superfluid transition in two dimensions is replaced by a continuous transition with z=1 in one dimension. We present evidence that this transition is in the Kosterlitz-Thouless universality class and discuss the mechanism behind this difference. The simultaneous presence of two types of quasi long range order results in two soliton-like dips in the excitation spectrum.

cond-mat.supr-con↗