Charge-orbital ordering and phase separation in the two-orbital model for manganites: Roles of Jahn-Teller phononic and Coulombic interactions

The main properties of realistic models for manganites are studied using analytic mean-field approximations and computational numerical methods, focusing on the two-orbital model with electrons interacting through Jahn-Teller (JT) phonons and/or Coulombic repulsions. Analyzing the model including both interactions by the combination of the mean-field approximation and the exact diagonalization method, it is argued that the spin-charge-orbital structure in the insulating phase of the purely JT-phononic model with a large Hund couphng J(H) is not qualitatively changed by the inclusion of the Coulomb interactions. As an important application of the present mean-held approximation, the CE-type antiferromagnetic state, the charge-stacked structure along the z axis, and (3x(2) - r(2))/(3y(2) - r(2))-type orbital ordering are successfully reproduced based on the JT-phononic model with large JH for the half-doped manganite, in agreement with recent Monte Carlo simulation results. Topological arguments and the relevance of the Heisenberg exchange among localized t(2g) spins explains why the inclusion of the nearest-neighbor Coulomb interaction does not destroy the charge stacking structure. It is also verified that the phase-separation tendency is observed both in purely JT-phononic (large JH) and purely Coulombic models in the vicinity of the hole undoped region, as long as realistic hopping matrices are used. This highlights the qualitative similarities of both approaches and the relevance of mixed-phase tendencies in the context of manganites. In addition, the rich and complex phase diagram of the two-orbital Coulombic model in one dimension is presented. Our results provide robust evidence that Coulombic and JT-phononic approaches to manganites are not qualitatively different ways to carry out theoretical calculations, but they share a variety of common features.

NUCLEAR ALIGNMENT - CLASSICAL DYNAMIC-MODEL FOR THE U-238 U-238 SYSTEM

Dynamical properties of the U-238-U-238 system at the classical turning point, specifically the distance of closest approach, the relative orientations of the nuclei, and deformations have been studied at the sub-Coulomb energy of E(lab) = 6.07 MeV/nucleon using a classical dynamical model with a variable moment of inertia. Probability of favorable alignment for anomalous positron-electron pair emission through vacuum decay is calculated. The calculated small favorable alignment probability value of 0.116 is found to be enhanced by about 16% in comparison with the results of a similar study using a fixed moment of inertia as well as the results from a semiquantal calculation reported earlier.

UNRUH-DEWITT DETECTORS IN THE PRESENCE OF SCALAR SOURCES

We analyze the response of Unruh-DeWitt detectors in the presence of inertial scalar sources. We show that, in general, a detector responds to the corresponding Coulomb field. However, in some cases, pure vacuum contributions can overwhelm the influence of the Coulomb field rendering the effect of the external source on the detector's response arbitrarily small. We revisit in this context the celebrated question of whether uniformly accelerated observers can see the radiation coming from an inertial charge, and point out the present impediments to answering this question.

MONTE-CARLO SIMULATION OF POLYAMPHOLYTE CHAINS

Polyampholyte copolymers containing both positive and negative monomers regularly dispersed along the chain were studied. The Monte Carlo method was used to simulate chains with charged monomers interacting by screened Coulomb potential. The neutral polyampholyte chains collapse due to the attractive electrostatic interactions. The nonneutral chains are in extended conformations due to the repulsive polyelectrolyte effects that dominate the attractive polyampholyte interactions. The results are in good agreement with experiment.

Bound states of the Dirac equation for a class of effective quadratic plus inversely quadratic potentials

The Dirac equation is exactly solved for a pseudoscalar linear plus Coulomb-like potential in a two-dimensional world. This sort of potential gives rise to an effective quadratic plus inversely quadratic potential in a Sturm-Liouville problem, regardless the sign of the parameter of the linear potential, in sharp contrast with the Schrodinger case. The generalized Dirac oscillator already analyzed in a previous work is obtained as a particular case. (C) 2004 Elsevier B.V. All rights reserved.

Neutron Diffraction Study of Liquid N-Methylformamide Using EPSR Simulation

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Gauge-independent analysis of 2D-gravity

In this note we show that the induced 2D-gravity SL(2, ℝ) currents can be defined in a gauge-independent way although they manifest themselves as generators of residual symmetries only in some special gauges. In the Coulomb gas representation we investigate two approaches, namely one resembling string field theory and another that emphasizes the SL(2, ℝ) structure in the phase space. In the conformal gauge we propose a solution of the Liouville theory in terms of the SL(2, ℝ) currents.

Correlation functions in super liouville theory

We calculate three- and four-point functions in super Liouville theory coupled to a super Coulomb gas on world sheets with spherical topology. We first integrate over the zero mode and assume that a parameter takes an integer value. We find the amplitudes, give plausibility arguments in favor of the result, and formally continue the parameter to an arbitrary real number. Remarkably the result is completely parallel to the bosonic case.

Nuclear coherent versus incoherent effects in peripheral RHI collisions

We derive simple and physically transparent expressions for the contribution of the strong interaction to one-nucleon-removal processes in peripheral relativistic heavy-ion collisions. The coherent contribution, i.e., the excitation of a giant dipole resonance via meson exchange, is shown to be negligible as well as the interference between Coulomb and nuclear excitation. The incoherent nucleon-knockout contribution is also derived suggesting the nature of the nuclear interaction in this class of processes. We also justify the simple formulae used to fit the data of the E814 Collaboration. © 1995 Elseier Science B.V. All rights reserved.

Polarization in fermion scattering

The behaviour of the helicity of an initially left-handed beam of massive fermions first interacting with a Coulomb field and then with a charged scalar particle via a photon exchange is analysed. It is found that in both cases the massive fermions have their helicity flipped, while massless fermions seeem to be unaffected by the electromagnetic field as far as their helicity is concerned.

C - H ⋯ 0 and N - H ⋯ 0 hydrogen bonds in liquid amides investigated by monte carlo simulation

Monte Carlo simulations of liquid formamide, N-methylformamide (MF), and N, N-dimethytformamide (DMF) have been performed in the isothermal and isobaric ensemble at 298 K and 1 atm, aiming to investigate the C-H ⋯ O and N-H ⋯ O hydrogen bonds. The interaction energy was calculated using the classical 6-12 Lennard-Jones pairwise potential plus a Coulomb term on a rigid six-site molecular model with the potential parameters being optimized in this work. Theoretical values obtained for heat of vaporization and liquid densities are in good agreement with the experimental data. The radial distribution function [RDF, g(r)] obtained compare well with R-X diffraction data available. The RDF and molecular mechanics (MM2) minimization show that the C-H ⋯ O interaction has a significant role in the structure of the three liquids. These results are supported by ab initio calculations. This interaction is particularly important in the structure of MF. The intensity of the N - H ⋯ O hydrogen bond is greater in the MF than formamide. This could explain some anomalous properties verified in MF. © 1997 John Wiley & Sons, Inc.

Semiclassical approach to the three-body muon-transfer collisions

Muon-transfer rates in collisions of hydrogen-like atoms (pμ -) or (dμ -) with light nuclei t, 3He, 4He, 6Li or 7Li, are calculated in a semiclassical approximation to the Faddeev-Hahn equations. The two nuclei involved are treated classically, while the motion of the muon in their Coulomb field is considered from the quantum mechanical point of view. The experimentally observed strong dependence on the charge of the nuclei is reproduced.

Study of water and dimethylformamide interaction by computer simulation

Monte Carlo simulations of water-dimethylformamide (DMF) mixtures were performed in the isothermal and isobaric ensemble at 298.15 K and 1 atm. The intermolecular interaction energy was calculated using the classical 6-12 Lennard-Jones pairwise potential plus a Coulomb term. The TIP4P model was used for simulating water molecules, and a six-site model previously optimised by us was used to represent DMF. The potential energy for the water-DMF interaction was obtained via standard geometric combining rules using the original potential parameters for the pure liquids. The radial distribution functions calculated for water-DMF mixtures show well characterised hydrogen bonds between the oxygen site of DMF and hydrogen of water. A structureless correlation curve was observed for the interaction between the hydrogen site of the carbonyl group and the oxygen site of water. Hydration effects on the stabilisation of the DMF molecule in aqueous solution have been investigated using statistical perturbation theory. The results show that energetic changes involved in the hydration process are not strong enough to stabilise another configuration of DMF than the planar one.

Dynamical calculation of direct muon-transfer rates from thermalized muonic hydrogen to C6+ and O8+

Moun-transfer reactions from muonic hydrogen to carbon and oxygen nuclei employing a full quantum-mechanical few-body description of rearrangement scattering were studied by solving the Faddeev-Hahn-type equations using close-coupling approximation. The application of a close-coupling-type ansatz led to satisfactory results for direct muon-transfer reactions from muonic hydrogen to C6+ and O8+.

Generalized ladder operators for shape-invariant potentials

A general form for ladder operators is used to construct a method to solve bound-state Schrödinger equations. The characteristics of supersymmetry and shape invariance of the system are the start point of the approach. To show the elegance and the utility of the method we use it to obtain energy spectra and eigenfunctions for the one-dimensional harmonic oscillator and Morse potentials and for the radial harmonic oscillator and Coulomb potentials.