Fixed-Node Monte Carlo Calculations for the 1d Kondo Lattice Model

The effectiveness of the recently developed Fixed-Node Quantum Monte Carlo method for lattice fermions, developed by van Leeuwen and co-workers, is tested by applying it to the 1D Kondo lattice, an example of a one-dimensional model with a sign problem. The principles of this method and its implementation for the Kondo Lattice Model are discussed in detail. We compare the fixed-node upper bound for the ground state energy at half filling with exact-diagonalization results from the literature, and determine several spin correlation functions. Our `best estimates' for the ground state correlation functions do not depend sensitively on the input trial wave function of the fixed-node projection, and are reasonably close to the exact values. We also calculate the spin gap of the model with the Fixed-Node Monte Carlo method. For this it is necessary to use a many-Slater-determinant trial state. The lowest-energy spin excitation is a running spin soliton with wave number pi, in agreement with earlier calculations.Comment: 19 pages, revtex, contribution to Festschrift for Hans van Leeuwe

Stripes and spin-incommensurabilities are favored by lattice anisotropies

Structural distortions in cuprate materials give a natural origin for anisotropies in electron properties. We study a modified one-band t-J model in which we allow for different hoppings and antiferromagnetic couplings in the two spatial directions ($t_x \ne t_y$ and $J_x \ne J_y$). Incommensurate peaks in the spin structure factor show up only in the presence of a lattice anisotropy, whereas charge correlations, indicating enhanced fluctuations at incommensurate wave vectors, are almost unaffected with respect to the isotropic case.Comment: accepted for publication on Physical Review Letters, one color figur

Helicity Modulus and Effective Hopping in the Two-Dimensional Hubbard Model Using Slave-Boson Methods

The slave-boson mean-field method is used to study the two-dimensional Hubbard model. A magnetic phase diagram allowing for paramagnetism, weak- and strong ferromagnetism and antiferromagnetism, including all continuous and first-order transitions, is constructed and compared to the corresponding phase diagram using the Hartree-Fock approximation (HFA). Magnetically ordered regions are reduced by a factor of about 3 along both the $t/U$ and density axes compared to the HFA. Using the spin-rotation invariant formulation of the slave-boson method the helicity modulus is computed and for half-filling is found to practically coincide with that found using variational Monte Carlo calculations using the Gutzwiller wave function. Off half-filling the results can be used to compare with Quantum Monte Carlo calculations of the effective hopping parameter. Contrary to the case of half-filling, the slave-boson approach is seen to greatly improve the results of the HFA when off half-filling. (Submitted to: Journal of Physics: Condensed Matter)Comment: 27 pages, LaTeX2e, 7 figures available upon request, INLO-PUB-10/9

Proof for an upper bound in fixed-node Monte Carlo for lattice fermions

We justify a recently proposed prescription for performing Green Function Monte Carlo calculations on systems of lattice fermions, by which one is able to avoid the sign problem. We generalize the prescription such that it can also be used for problems with hopping terms of different signs. We prove that the effective Hamiltonian, used in this method, leads to an upper bound for the ground-state energy of the real Hamiltonian, and we illustrate the effectiveness of the method on small systems.Comment: 14 pages in revtex v3.0, no figure

Charge fluctuations close to phase separation in the two dimensional t-J model

We have studied the t-J model using the Green Function Monte Carlo technique. We have obtained accurate energies well converged in the thermodynamic limit, by performing simulations up to 242 lattice sites. By studying the energy as a function of hole doping we conclude that there is no phase separation in the physical region, relevant for HTc superconductors. This finding is further supported by the hole-hole correlation function calculation. Remarkably, by approaching the phase separation instability, for $J_c/t\sim 0.5$,this function displays enhanced fluctuations at incommensurate wavevectors, scaling linearly with the doping, in agreement with experimental findings.Comment: To appear on Phys. Rev. Let

Superconductivity in the two-dimensional t-J model

Using computational techniques, it is shown that pairing is a robust property of hole doped antiferromagnetic (AF) insulators. In one dimension (1D) and for two-leg ladder systems, a BCS-like variational wave function with long-bond spin-singlets and a Jastrow factor provides an accurate representation of the ground state of the t-J model, even though strong quantum fluctuations destroy the off-diagonal superconducting (SC) long-range order in this case. However, in two dimensions (2D) it is argued -- and numerically confirmed using several techniques, especially quantum Monte Carlo (QMC) -- that quantum fluctuations are not strong enough to suppress superconductivity.Comment: 4 pages, 5 figure

Spontaneous plaquette dimerization in the J1−J2J_1-J_2 Heisenberg model

We investigate the non magnetic phase of the spin-half frustrated Heisenberg antiferromagnet on the square lattice using exact diagonalization (up to 36 sites) and quantum Monte Carlo techniques (up to 144 sites). The spin gap and the susceptibilities for the most important crystal symmetry breaking operators are computed. A genuine and somehow unexpected `plaquette RVB', with spontaneously broken translation symmetry and no broken rotation symmetry, comes out from our numerical simulations as the most plausible ground state for $J_2/J_1 \simeq 0.5$.Comment: 4 pages, 5 postscript figure

Green's Function Monte Carlo for Lattice Fermions: Application to the t-J Model

We develop a general numerical method to study the zero temperature properties of strongly correlated electron models on large lattices. The technique, which resembles Green's Function Monte Carlo, projects the ground state component from a trial wave function with no approximations. We use this method to determine the phase diagram of the two-dimensional t-J model, using the Maxwell construction to investigate electronic phase separation. The shell effects of fermions on finite-sized periodic lattices are minimized by keeping the number of electrons fixed at a closed-shell configuration and varying the size of the lattice. Results obtained for various electron numbers corresponding to different closed-shells indicate that the finite-size effects in our calculation are small. For any value of interaction strength, we find that there is always a value of the electron density above which the system can lower its energy by forming a two-component phase separated state. Our results are compared with other calculations on the t-J model. We find that the most accurate results are consistent with phase separation at all interaction strengths.Comment: 22 pages, 22 figure

Long range Neel order in the triangular Heisenberg model

We have studied the Heisenberg model on the triangular lattice using several Quantum Monte Carlo (QMC) techniques (up to 144 sites), and exact diagonalization (ED) (up to 36 sites). By studying the spin gap as a function of the system size we have obtained a robust evidence for a gapless spectrum, confirming the existence of long range Neel order. Our best estimate is that in the thermodynamic limit the order parameter m= 0.41 +/- 0.02 is reduced by about 59% from its classical value and the ground state energy per site is e0=-0.5458 +/- 0.0001 in unit of the exchange coupling. We have identified the important ground state correlations at short distance.Comment: 4 pages, RevTeX + 4 encapsulated postscript figure