Efficient calculation of imaginary time displaced correlation functions in the projector auxiliary field quantum Monte-Carlo algorithm

The calculation of imaginary time displaced correlation functions with the auxiliary field projector quantum Monte-Carlo algorithm provides valuable insight (such as spin and charge gaps) in the model under consideration. One of the authors and M. Imada [F.F. Assaad and M. Imada, J. Phys. Soc. Jpn. 65 189 (1996).] have proposed a numerically stable method to compute those quantities. Although precise this method is expensive in CPU time. Here, we present an alternative approach which is an order of magnitude quicker, just as precise, and very simple to implement. The method is based on the observation that for a given auxiliary field the equal time Green function matrix, $G$, is a projector: $G^2 = G$.Comment: 4 papes, 1 figure in eps forma

Metamagnetism and Lifshitz Transitions in Models for Heavy Fermions

We investigate metamagnetic transitions in models for heavy fermions by considering the doped Kondo lattice model in two dimensions. Results are obtained within the framework of dynamical mean field and dynamical cluster approximations. Universal magnetization curves for different temperatures and Kondo couplings develop upon scaling with the lattice coherence temperature. Furthermore, the coupling of the local moments to the magnetic field is varied to take into account the different Land\'e factors of localized and itinerant electrons. The competition between the lattice coherence scale and the Zeeman energy scale allows for two interpretations of the metamagnetism in heavy fermions: Kondo breakdown or Lifshitz transitions. By tracking the single-particle residue through the transition, we can uniquely conclude in favor of the Lifshitz transition scenario. In this scenario, a quasiparticle band drops below the Fermi energy which leads to a change in topology of the Fermi surface.Comment: 8 pages, 7 figure

Dynamic Exponent of t-J and t-J-W Model

Drude weight of optical conductivity is calculated at zero temperature by exact diagonalization for the two-dimensional t-J model with the two-particle term, $W$. For the ordinary t-J model with $W$=0, the scaling of the Drude weight $D \propto \delta^2$ for small doping concentration $\delta$ is obtained, which indicates anomalous dynamic exponent $z$=4 of the Mott transition. When $W$ is switched on, the dynamic exponent recovers its conventional value $z$=2. This corresponds to an incoherent-to-coherent transition associated with the switching of the two-particle transfer.Comment: LaTeX, JPSJ-style, 4 pages, 5 eps files, to appear in J. Phys. Soc. Jpn. vol.67, No.6 (1998

Momentum-dependent pseudogaps in the half-filled two-dimensional Hubbard model

We compute unbiased spectral functions of the two-dimensional Hubbard model by extrapolating Green functions, obtained from determinantal quantum Monte Carlo simulations, to the thermodynamic and continuous time limits. Our results clearly resolve the pseudogap at weak to intermediate coupling, originating from a momentum selective opening of the charge gap. A characteristic pseudogap temperature T*, determined consistently from the spectra and from the momentum dependence of the imaginary-time Green functions, is found to match the dynamical mean-field critical temperature, below which antiferromagnetic fluctuations become dominant. Our results identify a regime where pseudogap physics is within reach of experiments with cold fermions in optical lattices.Comment: 10 pages, 13 figures; extended version to appear in Phys. Rev.

Interaction driven metal-insulator transition in strained graphene

The question of whether electron-electron interactions can drive a metal to insulator transition in graphene under realistic experimental conditions is addressed. Using three representative methods to calculate the effective long-range Coulomb interaction between $\pi$-electrons in graphene and solving for the ground state using quantum Monte Carlo methods, we argue that without strain, graphene remains metallic and changing the substrate from SiO$_2$ to suspended samples hardly makes any difference. In contrast, applying a rather large -- but experimentally realistic -- uniform and isotropic strain of about $15\%$ seems to be a promising route to making graphene an antiferromagnetic Mott insulator.Comment: Updated version: 6 pages, 3 figure

Quantum Transition between an Antiferromagnetic Mott Insulator and dx2−y2d_{x^2 - y^2} Superconductor in Two Dimensions

We consider a Hubbard model on a square lattice with an additional interaction, $W$, which depends upon the square of a near-neighbor hopping. At half-filling and a constant value of the Hubbard repulsion, increasing the strength of the interaction $W$ drives the system from an antiferromagnetic Mott insulator to a $d_{x^2 -y^2}$ superconductor. This conclusion is reached on the basis of zero temperature quantum Monte Carlo simulations on lattice sizes up to $16 \times 16$.Comment: 4 pages (latex) and 4 postscript figure

Charge and Spin Structures of a dx2−y2d_{x^2 - y^2} Superconductor in the Proximity of an Antiferromagnetic Mott Insulator

To the Hubbard model on a square lattice we add an interaction, $W$, which depends upon the square of a near-neighbor hopping. We use zero temperature quantum Monte Carlo simulations on lattice sizes up to $16 \times 16$, to show that at half-filling and constant value of the Hubbard repulsion, the interaction $W$ triggers a quantum transition between an antiferromagnetic Mott insulator and a $d_{x^2 -y^2}$ superconductor. With a combination of finite temperature quantum Monte Carlo simulations and the Maximum Entropy method, we study spin and charge degrees of freedom in the superconducting state. We give numerical evidence for the occurrence of a finite temperature Kosterlitz-Thouless transition to the $d_{x^2 -y^2}$ superconducting state. Above and below the Kosterlitz-Thouless transition temperature, $T_{KT}$, we compute the one-electron density of states, $N(\omega)$, the spin relaxation rate $1/T_1$, as well as the imaginary and real part of the spin susceptibility $\chi(\vec{q},\omega)$. The spin dynamics are characterized by the vanishing of $1/T_1$ and divergence of $Re \chi(\vec{q} = (\pi,\pi), \omega = 0)$ in the low temperature limit. As $T_{KT}$ is approached $N(\omega)$ develops a pseudo-gap feature and below $T_{KT}$ $Im \chi(\vec{q} = (\pi,\pi), \omega)$ shows a peak at finite frequency.Comment: 46 pages (latex) including 14 figures in encapsulated postscript format. Submitted for publication in Phys. Rev.

Finite-temperature properties of hard-core bosons confined on one-dimensional optical lattices

We present an exact study of the finite-temperature properties of hard-core bosons (HCB's) confined on one-dimensional optical lattices. Our solution of the HCB problem is based on the Jordan-Wigner transformation and properties of Slater determinants. We analyze the effects of the temperature on the behavior of the one-particle correlations, the momentum distribution function, and the lowest natural orbitals. In addition, we compare results obtained using the grand-canonical and canonical descriptions for systems like the ones recently achieved experimentally. We show that even for such small systems, as small as 10 HCB's in 50 lattice sites, there are only minor differences between the energies and momentum distributions obtained within both ensembles.Comment: RevTex file, 12 pages, 16 figures, published versio

Doping induced metal-insulator transition in two-dimensional Hubbard, t−Ut-U, and extended Hubbard, t−U−Wt-U-W, models

We show numerically that the nature of the doping induced metal-insulator transition in the two-dimensional Hubbard model is radically altered by the inclusion of a term, $W$, which depends upon a square of a single-particle nearest-neighbor hopping. This result is reached by computing the localization length, $\xi_l$, in the insulating state. At finite values of $W$ we find results consistent with $\xi_l \sim | \mu - \mu_c|^{- 1/2}$ where $\mu_c$ is the critical chemical potential. In contrast, $\xi_l \sim | \mu - \mu_c|^{-1/4}$ for the Hubbard model. At finite values of $W$, the presented numerical results imply that doping the antiferromagnetic Mott insulator leads to a $d_{x^2 - y ^2}$ superconductor.Comment: 19 pages (latex) including 7 figures in encapsulated postscript format. Submitted for publication in Phys. Rev.

Critical Exponents of the Metal-Insulator Transition in the Two-Dimensional Hubbard Model

We study the filling-controlled metal-insulator transition in the two-dimensional Hubbard model near half-filling with the use of zero temperature quantum Monte Carlo methods. In the metallic phase, the compressibility behaves as $\kappa \propto |\mu - \mu_c|^{-0.58\pm0.08}$ where $\mu_c$ is the critical chemical potential. In the insulating phase, the localization length follows $\xi_l \propto |\mu - \mu_c|^{-\nu_l}$ with $\nu_l = 0.26 \pm 0.05$. Under the assumption of hyperscaling, the compressibility data leads to a correlation length exponent $\nu_\kappa = 0.21 \pm 0.04$. Our results show that the exponents $\nu_\kappa$ and $\nu_l$ agree within statistical uncertainty. This confirms the assumption of hyperscaling with correlation length exponent $\nu = 1/4$ and dynamical exponent $z = 4$. In contrast the metal-insulator transition in the generic band insulators in all dimensions as well as in the one-dimensional Hubbard model satisfy the hyperscaling assumption with exponents $\nu = 1/2$ and $z = 2$.Comment: Two references added. The DVI file and PS figure files are also available at http://www.issp.u-tokyo.ac.jp/labs/riron/imada/furukawa/; to appear in J. Phys. Soc. Jpn 65 (1996) No.