Dynamical coherent-potential approximation approach to excitation spectra in 3d transition metals

First-principles dynamical CPA (Coherent-Potential Approximation) for electron correlations has been developed further by taking into account higher-order dynamical corrections with use of the asymptotic approximation. The theory is applied to the investigations of a systematic change of excitation spectra in $3d$ transition metals from Sc to Cu at finite temperatures. It is shown that the dynamical effects damp main peaks in the densities of states (DOS) obtained by the local density approximation to the density functional theory, reduce the band broadening due to thermal spin fluctuations, create the Mott-Hubbard type bands in the case of fcc Mn and fcc Fe, and create a small hump corresponding to the `6 eV' satellite in the case of Co, Ni, and Cu. Calculated DOS explain the X-ray photoelectron spectroscopy data as well as the bremsstrahlung isochromat spectroscopy data. Moreover, it is found that screening effects on the exchange energy parameters are significant for understanding the spectra in magnetic transition metals.Comment: To be published in Phys. Rev.

Phase diagram of a Disordered Boson Hubbard Model in Two Dimensions

We study the zero-temperature phase transition of a two-dimensional disordered boson Hubbard model. The phase diagram of this model is constructed in terms of the disorder strength and the chemical potential. Via quantum Monte Carlo simulations, we find a multicritical line separating the weak-disorder regime, where a random potential is irrelevant, from the strong-disorder regime. In the weak-disorder regime, the Mott-insulator-to-superfluid transition occurs, while, in the strong-disorder regime, the Bose-glass-to-superfluid transition occurs. On the multicritical line, the insulator-to-superfluid transition has the dynamical critical exponent $z=1.35 \pm 0.05$ and the correlation length critical exponent $\nu=0.67 \pm 0.03$, that are different from the values for the transitions off the line. We suggest that the proliferation of the particle-hole pairs screens out the weak disorder effects.Comment: 4 pages, 4 figures, to be published in PR

Simulation Studies on the Stability of the Vortex-Glass Order

The stability of the three-dimensional vortex-glass order in random type-II superconductors with point disorder is investigated by equilibrium Monte Carlo simulations based on a lattice XY model with a uniform field threading the system. It is found that the vortex-glass order, which stably exists in the absence of screening, is destroyed by the screenng effect, corroborating the previous finding based on the spatially isotropic gauge-glass model. Estimated critical exponents, however, deviate considerably from the values reported for the gauge-glass model.Comment: Minor modifications made, a few referenced added; to appear in J. Phys. Soc. Jpn. Vol.69 No.1 (2000

Off-Equilibrium Dynamics in Finite-Dimensional Spin Glass Models

The low temperature dynamics of the two- and three-dimensional Ising spin glass model with Gaussian couplings is investigated via extensive Monte Carlo simulations. We find an algebraic decay of the remanent magnetization. For the autocorrelation function $C(t,t_w)=[]_{av}$ a typical aging scenario with a $t/t_w$ scaling is established. Investigating spatial correlations we find an algebraic growth law $\xi(t_w)\sim t_w^{\alpha(T)}$ of the average domain size. The spatial correlation function $G(r,t_w)=[< S_i(t_w)S_{i+r}(t_w)>^2]_{av}$ scales with $r/\xi(t_w)$. The sensitivity of the correlations in the spin glass phase with respect to temperature changes is examined by calculating a time dependent overlap length. In the two dimensional model we examine domain growth with a new method: First we determine the exact ground states of the various samples (of system sizes up to $100\times 100$) and then we calculate the correlations between this state and the states generated during a Monte Carlo simulation.Comment: 38 pages, RevTeX, 14 postscript figure

Cluster Monte Carlo Algorithm for the Quantum Rotor Model

We propose a highly efficient "worm" like cluster Monte Carlo algorithm for the quantum rotor model in the link-current representation. We explicitly prove detailed balance for the new algorithm even in the presence of disorder. For the pure quantum rotor model with $\mu=0$ the new algorithm yields high precision estimates for the critical point $K_c=0.33305(5)$ and the correlation length exponent $\nu=0.670(3)$. For the disordered case, $\mu=1/2 \pm 1/2$, we find $\nu=1.15(10)$.Comment: 5 pages, 3 figure

Nature of the vortex-glass order in strongly type-II superconductors

The stability and the critical properties of the three-dimensional vortex-glass order in random type-II superconductors with point disorder is investigated in the unscreened limit based on a lattice {\it XY} model with a uniform field. By performing equilibrium Monte Carlo simulations for the system with periodic boundary conditions, the existence of a stable vortex-glass order is established in the unscreened limit. Estimated critical exponents are compared with those of the gauge-glass model.Comment: Error in the reported value of the exponent eta is correcte

Monte Carlo Simulations of Short-time Critical Dynamics with a Conserved Quantity

With Monte Carlo simulations, we investigate short-time critical dynamics of the three-dimensional anti-ferromagnetic Ising model with a globally conserved magnetization $m_s$ (not the order parameter). From the power law behavior of the staggered magnetization (the order parameter), its second moment and the auto-correlation, we determine all static and dynamic critical exponents as well as the critical temperature. The universality class of $m_s=0$ is the same as that without a conserved quantity, but the universality class of non-zero $m_s$ is different.Comment: to appear in Phys. Rev.

Numerical study of the strongly screened vortex glass model in an external field

The vortex glass model for a disordered high-T_c superconductor in an external magnetic field is studied in the strong screening limit. With exact ground state (i.e. T=0) calculations we show that 1) the ground state of the vortex configuration varies drastically with infinitesimal variations of the strength of the external field, 2) the minimum energy of global excitation loops of length scale L do not depend on the strength of the external field, however 3) the excitation loops themself depend sensibly on the field. From 2) we infer the absence of a true superconducting state at any finite temperature independent of the external field.Comment: 6 pages RevTeX, 5 eps-figures include

How a spin-glass remembers. Memory and rejuvenation from intermittency data: an analysis of temperature shifts

The memory and rejuvenation aspects of intermittent heat transport are explored theoretically and by numerical simulation for Ising spin glasses with short-ranged interactions. The theoretical part develops a picture of non-equilibrium glassy dynamics recently introduced by the authors. Invoking the concept of marginal stability, this theory links irreversible `intermittent' events, or `quakes' to thermal fluctuations of record magnitude. The pivotal idea is that the largest energy barrier $b(t_w,T)$ surmounted prior to $t_w$ by thermal fluctuations at temperature $T$ determines the rate $r_q \propto 1/t_w$ of the intermittent events occurring near $t_w$. The idea leads to a rate of intermittent events after a negative temperature shift given by $r_q \propto 1/t_w^{eff}$, where the `effective age' $t_w^{eff} \geq t_w$ has an algebraic dependence on $t_w$, whose exponent contains the temperatures before and after the shift. The analytical expression is verified by numerical simulations. Marginal stability suggests that a positive temperature shift $T \to T'$ could erase the memory of the barrier $b(t_w,T)$. The simulations show that the barrier $b(t_w,T') \geq b(t_w,T)$ controls the intermittent dynamics, whose rate is hence $r_q \propto 1/t_w$. Additional `rejuvenation' effects are also identified in the intermittency data for shifts of both signs.Comment: Revised introduction and discussion. Final version to appear in Journal of Statistical Mechanics: Theory and Experimen

Corrections to Scaling for the Two-dimensional Dynamic XY Model

With large-scale Monte Carlo simulations, we confirm that for the two-dimensional XY model, there is a logarithmic correction to scaling in the dynamic relaxation starting from a completely disordered state, while only an inverse power law correction in the case of starting from an ordered state. The dynamic exponent $z$ is $z=2.04(1)$.Comment: to appear as a Rapid commu. in Phys. Rev.