Temperature dependent properties of metallic clusters containing magnetic impurities

The properties of magnetic impurities in small metallic clusters are investigated in the framework of the Anderson model by using exact diagonalization methods. Parameters representative of the Kondo limit are considered. The spin gap ΔE = E(S=1, 3/2) - E(S=0, 1/2) shows a remarkable band-filling dependence that can be interpreted in terms of the cluster-specific conduction-electron spectrum. Finite-temperature properties such as the magnetic susceptibility and specific heat are calculated exactly in the canonical and grand canonical ensembles. The structural dependence is illustrated. Received 30 November 2000     

Persistent currents in mesoscopic rings and conformal invariance

The effect of point defects on persistent currents in mesoscopic rings is studied in a simple tight-binding model. Using an analogy with the treatment of the critical quantum Ising chain with defects, conformal invariance techniques are employed to relate the persistent current amplitude to the Hamiltonian spectrum just above the Fermi energy. From this, the dependence of the current on the magnetic flux is found exactly for a ring with one or two point defects. The effect of an aperiodic modulation of the ring, generated through a binary substitution sequence, on the persistent current is also studied. The flux-dependence of the current is found to vary remarkably between the Fibonacci and the Thue-Morse sequences. Received: 4 March 1998 / Revised: 20 April 1998 / Accepted: 30 April 1998     

Photon Gas Thermodynamics in Noncommutative Momentum Spaces

In this paper, we study thermodynamical properties of the extreme relativistic gases in canonical ensembles in non-commutative momentum spaces. In this regards, we exactly calculate the modified partition function, Helmholtz free energy, internal energy, entropy, heat capacity and the thermal pressure in the momentum spaces. Moreover, we conclude at high temperature limits due to the decreasing of the number of micro-states, these quantities reach to maximal bounds which do not exist in standard cases and it concludes that at the presence of gravity for both micro-canonical and canonical ensembles, the internal energy and the entropy tend to these upper bounds.

     

Configuration space for random walk dynamics

Applied to statistical physics models, the random cost algorithm enforces a Random Walk (RW) in energy (or possibly other thermodynamic quantities). The dynamics of this procedure is distinct from fixed weight updates. The probability for a configuration to be sampled depends on a number of unusual quantities, which are explained in this paper. This has been overlooked in recent literature, where the method is advertised for the calculation of canonical expectation values. We illustrate these points for the 2d Ising model. In addition, we prove a previously conjectured equation which relates microcanonical expectation values to the spectral density. Received: 13 May 1998 / Received in final form and Accepted: 26 May 1998     

Canonical hadron gas interpretation ofp-A E802 data

Hadron gas models have proved successful in predicting particle production in relativistic nucleus-nucleus collisions. The extension of these models to the smaller systems formed in proton-nucleus collisions requires that the finite size of the system be considered. We study two features introduced by the finite size: the need to conserve strangeness and baryon number exactly by performing calculations in the canonical ensemble, and the inclusion of a finite size geometrical correction term in the single particle density of states. We find significant differences between the grand canonical and canonical ensembles and a strong dependence on the baryon number of the system.     

Optical conductivity of the Bechgaard salts: the sum rules revisited

The validity of the optical sum rules has been addressed eversince and was always matter of debate. Particularly controversial is the proof that the partial sum rules can be extended to both optical conductivity and energy loss function. We show in this paper that for both transverse (optical conductivity) and longitudinal (energy loss function) absorption processes the corresponding sum rule can be theoretically established and through appropriate conditions for the integration limits exactly verified. We also focus our attention on the one-dimensional case within the microscopic Hubbard model. An application of these concepts to the quasi one-dimensional systems, for which we have chosen the organic (TMTSF)₂PF₆ material, will also be presented. Received: 19 December 1997 / Received in final form: 9 March 1998 / Accepted: 23 March 1998     

Resonance and non-recurrent rotationally ordered configuration in Frenkel-Kontorova models

We demonstrate, with a class of exactly solvable Frenkel-Kontorova models, the emergence of the non-recurrent rotationally ordered configurations whenever certain resonance conditions are satisfied among the openings in the hull function in both the commensurate and the incommensurate cases. If one insists on depicting them with hull functions, suitably defined extended numbers must be employed. The defect-mediated transition in the incommensurate case is also discussed. Received 14 October 1998     

The Generalized Canonical Ensemble and Its Universal Equivalence with the Microcanonical Ensemble

This paper shows for a general class of statistical mechanical models that when the microcanonical and canonical ensembles are nonequivalent on a subset of values of the energy, there often exists a generalized canonical ensemble that satisfies a strong form of equivalence with the microcanonical ensemble that we call universal equivalence. The generalized canonical ensemble that we consider is obtained from the standard canonical ensemble by adding an exponential factor involving a continuous function g of the Hamiltonian. For example, if the microcanonical entropy is C², then universal equivalence of ensembles holds with g taken from a class of quadratic functions, giving rise to a generalized canonical ensemble known in the literature as the Gaussian ensemble. This use of functions g to obtain ensemble equivalence is a counterpart to the use of penalty functions and augmented Lagrangians in global optimization. linebreak Generalizing the paper by Ellis et al. [J. Stat. Phys. 101:999–1064 (2000)], we analyze the equivalence of the microcanonical and generalized canonical ensembles both at the level of equilibrium macrostates and at the thermodynamic level. A neat but not quite precise statement of one of our main results is that the microcanonical and generalized canonical ensembles are equivalent at the level of equilibrium macrostates if and only if they are equivalent at the thermodynamic level, which is the case if and only if the generalized microcanonical entropy s–g is concave. This generalizes the work of Ellis et al., who basically proved that the microcanonical and canonical ensembles are equivalent at the level of equilibrium macrostates if and only if they are equivalent at the thermodynamic level, which is the case if and only if the microcanonical entropy s is concave.     

Limit Shapes for Gibbs Ensembles of Partitions

We explicitly compute limit shapes for several grand canonical Gibbs ensembles of partitions of integers. These ensembles appear in models of aggregation and are also related to invariant measures of zero range and coagulation-fragmentation processes. We show, that all possible limit shapes for these ensembles fall into several distinct classes determined by the asymptotics of the internal energies of aggregates.     

Ensemble inequivalence in random graphs

We present a complete analytical solution of a system of Potts spins on a random k-regular graph in both the canonical and microcanonical ensembles, using the Large Deviation Cavity Method (LDCM). The solution is shown to be composed of three different branches, resulting in a non-concave entropy function. The analytical solution is confirmed with numerical Metropolis and Creutz simulations and our results clearly demonstrate the presence of a region with negative specific heat and, consequently, ensemble inequivalence between the canonical and microcanonical ensembles.     

Low temperature thermodynamics of inverse square spin models in one dimension

We present a field-theoretic renormalization group calculation in two loop order for classical O(N)-models with an inverse square interaction in the vicinity of their lower critical dimensionality one. The magnetic susceptibility at low temperatures is shown to diverge like with a=(N-2)/(N-1) and . From a comparison with the exactly solvable Haldane-Shastry model we find that the same temperature dependence applies also to ferromagnetic quantum spin chains. Received: 20 February 1998 / Revised: 27 April 1998 / Accepted: 30 April 1998     

Suppression of superconductivity in high-T c cuprates due to nonmagnetic impurities: Implications for the order parameter symmetry

We show explicitly that the broad histogram single-spin-flip random walk dynamics does not give correct microcanonical average even in one dimension. The dynamics violates the detailed balance condition by an amount proportional to the inverse system size. As a result, in distribution different configurations with the same energy can have different probabilities. We propose a modified dynamics which ensures detailed balance and the histogram obtained from this dynamics is exactly flat. The broad histogram equation relating the average number of potential moves to density of states is generally valid. Received 2 October 1998 and Received in final form 13 October 1998     

Quantum scattering in the strip: From ballistic to localized regimes

Quantum scattering is studied in a system consisting of randomly distributed point scatterers in the strip. The model is continuous yet exactly solvable. Varying the number of scatterers (the sample length) we investigate a transition between the ballistic and the localized regimes. By considering the cylinder geometry and introducing the magnetic flux we are able to study time reversal symmetry breaking in the system. Both macroscopic (conductance) and microscopic (eigenphases distribution, statistics of S-matrix elements) characteristics of the system are examined. Received: 28 January 1998 / Revised: 16 June 1998 / Accepted: 6 July 1998     

Foundations of the quantum statistics of systems in equilibrium: A measuretheoretic approach

The fundamental equations of equilibrium quantum statistical mechanics are derived in the context of a measure-theoretic approach to the quantum mechanical ergodic problem. The method employed is an extension, to quantum mechanical systems, of the techniques developed by R. M. Lewis for establishing the foundations of classical statistical mechanics. The existence of a complete set of commuting observables is assumed, but no reference is made a priori to probability or statistical ensembles. Expressions for infinite-time averages in the microcanonical, canonical, and grand canonical ensembles are developed which reduce to conventional quantum statistical mechanics for systems in equilibrium when the total energy is the only conserved quantity. No attempt is made to extend the formalism at this time to deal with the difficult problem of the approach to equilibrium.     

Zero temperature phase transitions in spin-ladders: Phase diagram and dynamical studies of Cu2(C5H12N2)2Cl4>

In a magnetic field, spin-ladders undergo two zero-temperature phase transitions at the critical fields H_c1 and H_c2. An experimental review of static and dynamical properties of spin-ladders close to these critical points is presented. The scaling functions, universal to all quantum critical points in one-dimension, are extracted from (a) the thermodynamic quantities (magnetization) and (b) the dynamical functions (NMR relaxation). A simple mapping of strongly coupled spin ladders in a magnetic field on the exactly solvable XXZ model enables to make detailed fits and gives an overall understanding of a broad class of quantum magnets in their gapless phase (between H_c1 and H_c2). In this phase, the low temperature divergence of the NMR relaxation demonstrates its Luttinger liquid nature as well as the novel quantum critical regime at higher temperature. The general behavior close these quantum critical points can be tied to known models of quantum magnetism. Received: 13 March 1998 / Received in final form and Accepted: 21 July 1998     

Large Deviation Principles and Complete Equivalence and Nonequivalence Results for Pure and Mixed Ensembles

We consider a general class of statistical mechanical models of coherent structures in turbulence, which includes models of two-dimensional fluid motion, quasi-geostrophic flows, and dispersive waves. First, large deviation principles are proved for the canonical ensemble and the microcanonical ensemble. For each ensemble the set of equilibrium macrostates is defined as the set on which the corresponding rate function attains its minimum of 0. We then present complete equivalence and nonequivalence results at the level of equilibrium macrostates for the two ensembles. Microcanonical equilibrium macrostates are characterized as the solutions of a certain constrained minimization problem, while canonical equilibrium macrostates are characterized as the solutions of an unconstrained minimization problem in which the constraint in the first problem is replaced by a Lagrange multiplier. The analysis of equivalence and nonequivalence of ensembles reduces to the following question in global optimization. What are the relationships between the set of solutions of the constrained minimization problem that characterizes microcanonical equilibrium macrostates and the set of solutions of the unconstrained minimization problem that characterizes canonical equilibrium macrostates? In general terms, our main result is that a necessary and sufficient condition for equivalence of ensembles to hold at the level of equilibrium macrostates is that it holds at the level of thermodynamic functions, which is the case if and only if the microcanonical entropy is concave. The necessity of this condition is new and has the following striking formulation. If the microcanonical entropy is not concave at some value of its argument, then the ensembles are nonequivalent in the sense that the corresponding set of microcanonical equilibrium macrostates is disjoint from any set of canonical equilibrium macrostates. We point out a number of models of physical interest in which nonconcave microcanonical entropies arise. We also introduce a new class of ensembles called mixed ensembles, obtained by treating a subset of the dynamical invariants canonically and the complementary set microcanonically. Such ensembles arise naturally in applications where there are several independent dynamical invariants, including models of dispersive waves for the nonlinear Schrödinger equation. Complete equivalence and nonequivalence results are presented at the level of equilibrium macrostates for the pure canonical, the pure microcanonical, and the mixed ensembles.     

Quantum theory of rotation angles: The problem of angle sum and angle difference

We reconsider the problem of the sum and difference of two angle variables in quantum mechanics. The spectra of the sum and difference operators have widths of , but angles differing by are indistinguishable. This means that the angle sum and difference probability distributions must be cast into a range. We obtain probability distributions for the angle sum and difference and relate this problem to the representation of nonbijective canonical transformations. Received: 6 December 1997 / Revised: 15 April 1998 / Accepted: 7 May 1998     

Undulation instability in two-dimensional foams of magnetic fluid

Two-dimensional magnetic fluid foams are cellular structures whose framework is made of magnetic fluid. The features of these equilibrated patterns are driven by a control parameter: the amplitude of the applied magnetic field. When the latter is rapidly increased, an instability occurs: the walls between cells undulate. Such an instability has also been observed in other 2D cellular structures, which exist for instance in Langmuir monolayers or in magnetic garnets thin films. In this paper we give a theoretical analysis of this instability, the issues of which are shown to be well confirmed by experiments and numerical simulations. Received: 13 October 1997 / Received in final form: 28 January 1998 / Accepted: 9 March 1998     

Gas monitoring in the process industry using diode laser spectroscopy

2 , CO, NH₃, HCl and HF are described together with measurements from several installations. The monitors show continuous measurements with fast response and good sensitivity, all of which is difficult to obtain with conventional techniques such as wet chemical analysis. Received: 19 March 1998/Revised version: 2 June 1998