Ground state of the random-bond spin-1 Heisenberg chain

Stochastic series expansion quantum Monte Carlo is used to study the ground state of the antiferromagnetic spin-1 Heisenberg chain with bond disorder. Typical spin- and string-correlations functions behave in accordance with real-space renormalization group predictions for the random-singlet phase. The average string-correlation function decays algebraically with an exponent of -0.378(6), in very good agreement with the prediction of $-(3-\sqrt{5})/2\simeq -0.382$, while the average spin-correlation function is found to decay with an exponent of about -1, quite different from the expected value of -2. By implementing the concept of directed loops for the spin-1 chain we show that autocorrelation times can be reduced by up to two orders of magnitude.Comment: 9 pages, 10 figure

Criticality in coupled quantum spin-chains with competing ladder-like and two-dimensional couplings

Motivated by the geometry of spins in the material CaCu$_2$O$_3$, we study a two-layer, spin-half Heisenberg model, with nearest-neighbor exchange couplings J and \alpha*J along the two axes in the plane and a coupling J_\perp perpendicular to the planes. We study these class of models using the Stochastic Series Expansion (SSE) Quantum Monte Carlo simulations at finite temperatures and series expansion methods at T=0. The critical value of the interlayer coupling, J_\perp^c, separating the N{\'e}el ordered and disordered ground states, is found to follow very closely a square root dependence on $\alpha$. Both T=0 and finite-temperature properties of the model are presented.Comment: 9 pages, 11 figs., 1 tabl

Metal-insulator transition in the one-dimensional Holstein model at half filling

We study the one-dimensional Holstein model with spin-1/2 electrons at half-filling. Ground state properties are calculated for long chains with great accuracy using the density matrix renormalization group method and extrapolated to the thermodynamic limit. We show that for small electron-phonon coupling or large phonon frequency, the insulating Peierls ground state predicted by mean-field theory is destroyed by quantum lattice fluctuations and that the system remains in a metallic phase with a non-degenerate ground state and power-law electronic and phononic correlations. When the electron-phonon coupling becomes large or the phonon frequency small, the system undergoes a transition to an insulating Peierls phase with a two-fold degenerate ground state, long-range charge-density-wave order, a dimerized lattice structure, and a gap in the electronic excitation spectrum.Comment: 6 pages (LaTex), 10 eps figure

A Study of the S=1/2 Alternating Chain using Multiprecision Methods

In this paper we present results for the ground state and low-lying excitations of the $S=1/2$ alternating Heisenberg antiferromagnetic chain. Our more conventional techniques include perturbation theory about the dimer limit and numerical diagonalization of systems of up to 28 spins. A novel application of multiple precision numerical diagonalization allows us to determine analytical perturbation series to high order; the results found using this approach include ninth-order perturbation series for the ground state energy and one magnon gap, which were previously known only to third order. We also give the fifth-order dispersion relation and third-order exclusive neutron scattering structure factor for one-magnon modes and numerical and analytical binding energies of S=0 and S=1 two-magnon bound states.Comment: 16 pages, 9 figures. for submission to Phys.Rev.B. PICT files of figs available at http://csep2.phy.ornl.gov/theory_group/people/barnes/barnes.htm

Friedel oscillations in a two-band Hubbard model for CuO chains

Friedel oscillations induced by open boundary conditions in a two-band Hubbard model for CuO chains are numerically studied. We find that for physically realistic parameters and close to quarter filling, these oscillations have a 2k_F modulation according with experimental results on YBa_2Cu_3O_{7-delta}. In addition, we predict that, for the same parameters, as hole doping is reduced from quarter filling to half filling, Friedel oscillations would acquire a 4k_F modulation, typical of a strongly correlated electrons regime. The 4k_F modulation dominates also in the electron doped region. The range of parameters varied is very broad, and hence the results reported could apply to other cuprates and other strongly correlated compounds with quasi-one dimensional structures. On a more theoretical side, we stress the fact that the copper and oxygen subsystems should be described by two different Luttinger liquid exponents.Comment: 7 pages, 7 eps figure

From antiferromagnetism to d-wave superconductivity in the 2D t-J model

We have found that the two dimensional t-J model, for the physical parameter range J/t = 0.4 reproduces the main experimental qualitative features of High-Tc copper oxide superconductors: d-wave superconducting correlations are strongly enhanced upon small doping and clear evidence of off diagonal long range order is found at the optimal doping \delta ~ 0.15. On the other hand antiferromagnetic long range order, clearly present at zero hole doping, is suppressed at small hole density with clear absence of antiferromagnetism at \delta >~ 0.1.Comment: 4 pages, 5 figure

Incorporation of Density Matrix Wavefunctions in Monte Carlo Simulations: Application to the Frustrated Heisenberg Model

We combine the Density Matrix Technique (DMRG) with Green Function Monte Carlo (GFMC) simulations. The DMRG is most successful in 1-dimensional systems and can only be extended to 2-dimensional systems for strips of limited width. GFMC is not restricted to low dimensions but is limited by the efficiency of the sampling. This limitation is crucial when the system exhibits a so-called sign problem, which on the other hand is not a particular obstacle for the DMRG. We show how to combine the virtues of both methods by using a DMRG wavefunction as guiding wave function for the GFMC. This requires a special representation of the DMRG wavefunction to make the simulations possible within reasonable computational time. As a test case we apply the method to the 2-dimensional frustrated Heisenberg antiferromagnet. By supplementing the branching in GFMC with Stochastic Reconfiguration (SR) we get a stable simulation with a small variance also in the region where the fluctuations due to minus sign problem are maximal. The sensitivity of the results to the choice of the guiding wavefunction is extensively investigated. We analyse the model as a function of the ratio of the next-nearest to nearest neighbor coupling strength. We observe in the frustrated regime a pattern of the spin correlations which is in-between dimerlike and plaquette type ordering, states that have recently been suggested. It is a state with strong dimerization in one direction and weaker dimerization in the perpendicular direction.Comment: slightly revised version with added reference

Magnetization process for a quasi-one-dimensional S=1 antiferromagnet

We investigate the magnetization process for a quasi-one-dimensional S=1 antiferromagnet with bond alternation. By combining the density matrix renormalization group method with the interchain mean-field theory, we discuss how the interchain coupling affects the magnetization curve. It is found that the width of the magnetization plateau is considerably reduced upon introducing the interchain coupling. We obtain the phase diagram in a magnetic field. The effect of single-ion anisotropy is also addressed.Comment: 6 pages, 7 eps figure

Antineutrinos from Earth: A reference model and its uncertainties

We predict geoneutrino fluxes in a reference model based on a detailed description of Earth's crust and mantle and using the best available information on the abundances of uranium, thorium, and potassium inside Earth's layers. We estimate the uncertainties of fluxes corresponding to the uncertainties of the element abundances. In addition to distance integrated fluxes, we also provide the differential fluxes as a function of distance from several sites of experimental interest. Event yields at several locations are estimated and their dependence on the neutrino oscillation parameters is discussed. At Kamioka we predict N(U+Th)=35 +- 6 events for 10^{32} proton yr and 100% efficiency assuming sin^2(2theta)=0.863 and delta m^2 = 7.3 X 10^{-5} eV^2. The maximal prediction is 55 events, obtained in a model with fully radiogenic production of the terrestrial heat flow.Comment: 24 pages, ReVTeX4, plus 7 postscript figures; minor formal changes to match version to be published in PR

Spin-1/2 frustrated antiferromagnet on a spatially anisotopic square lattice: contribution of exact diagonalizations

The phase diagram of a spin-1/2 $J-J'-J_2$ model is investigated by means of exact diagonalizations on finite samples. This model is a generalization of the $J_1-J_2$ model on the square lattice with two different nearest-neighbor couplings $J,J'$ and may be also viewed as an array of coupled Heisenberg chains. The results suggest that the resonnating valence bond state predicted by Nersesyan and Tsvelik [Phys. Rev. B {\bf 67}, 024422 (2003)] for $J_2=0.5J' \ll J$ is realized and extends beyond the limit of small interchain coupling along a curve nearly coincident with the line where the energy per spin is maximum. This line is likely bordered on both side by a columnar dimer long range order. This columnar order could extends for $J'\to J$ which correspond to the $J_1-J_2$ model.Comment: 14 pages, 21 figures, final versio