Pairing, Charge, and Spin Correlations in the Three-Band Hubbard Model

Using the Constrained Path Monte Carlo (CPMC) method, we simulated the two-dimensional, three-band Hubbard model to study pairing, charge, and spin correlations as a function of electron and hole doping and the Coulomb repulsion $V_{pd}$ between charges on neighboring Cu and O lattice sites. As a function of distance, both the $d_{x^2 - y^2}$-wave and extended s-wave pairing correlations decayed quickly. In the charge-transfer regime, increasing $V_{pd}$ decreased the long-range part of the correlation functions in both channels, while in the mixed-valent regime, it increased the long-range part of the s-wave behavior but decreased that of the d-wave behavior. Still the d-wave behavior dominated. At a given doping, increasing $V_{pd}$ increased the spin-spin correlations in the charge-transfer regime but decreased them in the mixed-valent regime. Also increasing $V_{pd}$ suppressed the charge-charge correlations between neighboring Cu and O sites. Electron and hole doping away from half-filling was accompanied by a rapid suppression of anti-ferromagnetic correlations.Comment: Revtex, 8 pages with 15 figure

Generalized Quantum Theory of Recollapsing Homogeneous Cosmologies

A sum-over-histories generalized quantum theory is developed for homogeneous minisuperspace type A Bianchi cosmological models, focussing on the particular example of the classically recollapsing Bianchi IX universe. The decoherence functional for such universes is exhibited. We show how the probabilities of decoherent sets of alternative, coarse-grained histories of these model universes can be calculated. We consider in particular the probabilities for classical evolution defined by a suitable coarse-graining. For a restricted class of initial conditions and coarse grainings we exhibit the approximate decoherence of alternative histories in which the universe behaves classically and those in which it does not. For these situations we show that the probability is near unity for the universe to recontract classically if it expands classically. We also determine the relative probabilities of quasi-classical trajectories for initial states of WKB form, recovering for such states a precise form of the familiar heuristic "J d\Sigma" rule of quantum cosmology, as well as a generalization of this rule to generic initial states.Comment: 41 pages, 4 eps figures, revtex 4. Modest revisions throughout. Physics unchanged. To appear in Phys. Rev.

Analytical solutions for two heteronuclear atoms in a ring trap

We consider two heteronuclear atoms interacting with a short-range $\delta$ potential and confined in a ring trap. By taking the Bethe-ansatz-type wavefunction and considering the periodic boundary condition properly, we derive analytical solutions for the heteronuclear system. The eigen-energies represented in terms of quasi-momentums can then be determined by solving a set of coupled equations. We present a number of results, which display different features from the case of identical atoms. Our result can be reduced to the well-known Lieb-Liniger solution when two interacting atoms have the same masses.Comment: 6 pages, 6 figure

Independent Eigenstates of Angular Momentum in a Quantum N-body System

The global rotational degrees of freedom in the Schr\"{o}dinger equation for an $N$-body system are completely separated from the internal ones. After removing the motion of center of mass, we find a complete set of $(2\ell+1)$ independent base functions with the angular momentum $\ell$. These are homogeneous polynomials in the components of the coordinate vectors and the solutions of the Laplace equation, where the Euler angles do not appear explicitly. Any function with given angular momentum and given parity in the system can be expanded with respect to the base functions, where the coefficients are the functions of the internal variables. With the right choice of the base functions and the internal variables, we explicitly establish the equations for those functions. Only (3N-6) internal variables are involved both in the functions and in the equations. The permutation symmetry of the wave functions for identical particles is discussed.Comment: 24 pages, no figure, one Table, RevTex, Will be published in Phys. Rev. A 64, 0421xx (Oct. 2001

Determination of energy-band offsets between GaN and AlN using excitonic luminescence transition in AlGaN alloys

We report the determination of the energy-band offsets between GaN and AlN using the linewidth (full width at half maximum) of an extremely sharp excitonic luminescence transition in Alx Ga1-x N alloy with x=0.18 at 10 K. Our sample was grown on C -plane sapphire substrate by metal-organic chemical-vapor deposition at 1050 °C. The observed value of the excitonic linewidth of 17 meV is the smallest ever reported in literature. On subtracting a typical value of the excitonic linewidth in high-quality GaN, namely, 4.0 meV, we obtain a value of 13.0 meV, which we attribute to compositional disorder. This value is considerably smaller than that calculated using a delocalized exciton model [S. M. Lee and K. K. Bajaj, J. Appl. Phys. 73, 1788 (1993)]. The excitons are known to be strongly localized by defects and/or the potential fluctuations in this alloy system. We have simulated this localization assuming that the hole, being much more massive than the electron, is completely immobile, i.e., the hole mass is treated as infinite. Assuming that the excitonic line broadening is caused entirely by the potential fluctuations experienced by the conduction electron, the value of the conduction-band offset between GaN and AlN is determined to be about 57% of the total-band-gap discontinuity. Using our model we have calculated the variation of the excitonic linewidth as a function of Al composition in our samples with higher Al content larger than 18% and have compared it with the experimental data. We also compare our value of the conduction-band offset with those recently proposed by several other groups using different techniques. © 2006 American Institute of Physics

Signatures of chaotic tunnelling

Recent experiments with cold atoms provide a significant step toward a better understanding of tunnelling when irregular dynamics is present at the classical level. In this paper, we lay out numerical studies which shed light on the previous experiments, help to clarify the underlying physics and have the ambition to be guidelines for future experiments.Comment: 11 pages, 9 figures, submitted to Phys. Rev. E. Figures of better quality can be found at http://www.phys.univ-tours.fr/~mouchet

Phase diagram of the one-dimensional extended attractive Hubbard model for large nearest-neighbor repulsion

We consider the extended Hubbard model with attractive on-site interaction U and nearest-neighbor repulsions V. We construct an effective Hamiltonian H_{eff} for hopping t<<V and arbitrary U<0. Retaining the most important terms, H_{eff} can be mapped onto two XXZ models, solved by the Bethe ansatz. The quantum phase diagram shows two Luttinger liquid phases and a region of phase separation between them. For density n<0.422 and U<-4, singlet superconducting correlations dominate at large distances. For some parameters, the results are in qualitative agreement with experiments in BaKBiO.Comment: 6 pages, 3 figures, submitted to Phys. Rev.

Stress corrosion cracking in Al-Zn-Mg-Cu aluminum alloys in saline environments

Copyright 2013 ASM International. This paper was published in Metallurgical and Materials Transactions A, 44A(3), 1230 - 1253, and is made available as an electronic reprint with the permission of ASM International. One print or electronic copy may be made for personal use only. Systematic or multiple reproduction, distribution to multiple locations via electronic or other means, duplications of any material in this paper for a fee or for commercial purposes, or modification of the content of this paper are prohibited.Stress corrosion cracking of Al-Zn-Mg-Cu (AA7xxx) aluminum alloys exposed to saline environments at temperatures ranging from 293 K to 353 K (20 °C to 80 °C) has been reviewed with particular attention to the influences of alloy composition and temper, and bulk and local environmental conditions. Stress corrosion crack (SCC) growth rates at room temperature for peak- and over-aged tempers in saline environments are minimized for Al-Zn-Mg-Cu alloys containing less than ~8 wt pct Zn when Zn/Mg ratios are ranging from 2 to 3, excess magnesium levels are less than 1 wt pct, and copper content is either less than ~0.2 wt pct or ranging from 1.3 to 2 wt pct. A minimum chloride ion concentration of ~0.01 M is required for crack growth rates to exceed those in distilled water, which insures that the local solution pH in crack-tip regions can be maintained at less than 4. Crack growth rates in saline solution without other additions gradually increase with bulk chloride ion concentrations up to around 0.6 M NaCl, whereas in solutions with sufficiently low dichromate (or chromate), inhibitor additions are insensitive to the bulk chloride concentration and are typically at least double those observed without the additions. DCB specimens, fatigue pre-cracked in air before immersion in a saline environment, show an initial period with no detectible crack growth, followed by crack growth at the distilled water rate, and then transition to a higher crack growth rate typical of region 2 crack growth in the saline environment. Time spent in each stage depends on the type of pre-crack (“pop-in” vs fatigue), applied stress intensity factor, alloy chemistry, bulk environment, and, if applied, the external polarization. Apparent activation energies (E a) for SCC growth in Al-Zn-Mg-Cu alloys exposed to 0.6 M NaCl over the temperatures ranging from 293 K to 353 K (20 °C to 80 °C) for under-, peak-, and over-aged low-copper-containing alloys (~0.8 wt pct), they are typically ranging from 20 to 40 kJ/mol for under- and peak-aged alloys, and based on limited data, around 85 kJ/mol for over-aged tempers. This means that crack propagation in saline environments is most likely to occur by a hydrogen-related process for low-copper-containing Al-Zn-Mg-Cu alloys in under-, peak- and over-aged tempers, and for high-copper alloys in under- and peak-aged tempers. For over-aged high-copper-containing alloys, cracking is most probably under anodic dissolution control. Future stress corrosion studies should focus on understanding the factors that control crack initiation, and insuring that the next generation of higher performance Al-Zn-Mg-Cu alloys has similar longer crack initiation times and crack propagation rates to those of the incumbent alloys in an over-aged condition where crack rates are less than 1 mm/month at a high stress intensity factor

Chaos assisted tunnelling with cold atoms

In the context of quantum chaos, both theory and numerical analysis predict large fluctuations of the tunnelling transition probabilities when irregular dynamics is present at the classical level. We consider here the non-dissipative quantum evolution of cold atoms trapped in a time-dependent modulated periodic potential generated by two laser beams. We give some precise guidelines for the observation of chaos assisted tunnelling between invariant phase space structures paired by time-reversal symmetry.Comment: submitted to Phys. Rev. E ; 16 pages, 13 figures; figures of better quality can be found at http://www.phys.univ-tours.fr/~mouchet

A New Approach to the 3D Faddeev Equation for Three-Body Scattering

A novel approach to solve the Faddeev equation for three-body scattering at arbitrary energies is proposed. This approach disentangles the complicated singularity structure of the free three-nucleon propagator leading to the moving and logarithmic singularities in standard treatments. The Faddeev equation is formulated in momentum space and directly solved in terms of momentum vectors without employing a partial wave decomposition. In its simplest form the Faddeev equation for identical bosons, which we are using, is an integral equation in five variables, magnitudes of relative momenta and angles. The singularities of the free propagator and the deuteron propagator are now both simple poles in two different momentum variables, and thus can both be integrated with standard techniques.Comment: 8 pages, 1 figur