Phase diagram and magnons in quasi-one-dimensional dipolar antiferromagnets

We investigate antiferromagnetic spin chains, which are coupled by a weak antiferromagnetic exchange interaction on a hexagonal lattice. We particulary study the role of the dipole-dipole interaction within the framework of a Heisenberg model with nearest-neighbor exchange and additional dipolar interaction. We find several commensurate and incommensurate phases depending on the ratio of dipolar energy to interchain-exchange energy due to their competing qualtity. The ground-state analysis is supplemented by a stability analysis by means of a linear spin-wave theory. In comparison with experiments (CsMnBr_3, RbMnBr_3) we obtain good agreement for the energy gaps. From this we conclude, that the dipolar interaction is the most important source of anisotropy in these Mn-compounds.Comment: 3 pages, 3 Postscript figure

Superconductivity Controlled by Polarization in Field-Effect Devices of Confined Geometry

We propose a concept for superconducting electric field-effect devices based on superconducting films sandwiched between ferroelectric layers. We provide theoretical calculations that indicate how the field effect in these devices could be amplified, which can be experimentally probed even at the current stage of film fabrication techniques.Comment: to appear in Applied Physics Letters, 3 pages RevTeX4, 3 figure

Defect-induced condensation and central peak at elastic phase transitions

Static and dynamical properties of elastic phase transitions under the influence of short--range defects, which locally increase the transition temperature, are investigated. Our approach is based on a Ginzburg--Landau theory for three--dimensional crystals with one--, two-- or three--dimensional soft sectors, respectively. Systems with a finite concentration $n_{\rm D}$ of quenched, randomly placed defects display a phase transition at a temperature $T_c(n_{\rm D})$, which can be considerably above the transition temperature $T_c^0$ of the pure system. The phonon correlation function is calculated in single--site approximation. For $T>T_c(n_{\rm D})$ a dynamical central peak appears; upon approaching $T_c(n_{\rm D})$, its height diverges and its width vanishes. Using an appropriate self--consistent method, we calculate the spatially inhomogeneous order parameter, the free energy and the specific heat, as well as the dynamical correlation function in the ordered phase. The dynamical central peak disappears again as the temperatur is lowered below $T_c(n_{\rm D})$. The inhomogeneous order parameter causes a static central peak in the scattering cross section, with a finite $k$ width depending on the orientation of the external wave vector ${\bf k}$ relative to the soft sector. The jump in the specific heat at the transition temperatur of the pure system is smeared out by the influence of the defects, leading to a distinct maximum instead. In addition, there emerges a tiny discontinuity of the specific heat at $T_c(n_{\rm D})$. We also discuss the range of validity of the mean--field approach, and provide a more realistic estimate for the transition temperature.Comment: 11 pages, 11 ps-figures, to appear in PR

Quantum Charge Transport and Conformational Dynamics of Macromolecules

We study the dynamics of quantum excitations inside macromolecules which can undergo conformational transitions. In the first part of the paper, we use the path integral formalism to rigorously derive a set of coupled equations of motion which simultaneously describe the molecular and quantum transport dynamics, and obey the fluctuation/dissipation relationship. We also introduce an algorithm which yields the most probable molecular and quantum transport pathways in rare, thermally-activated reactions. In the second part of the paper, we apply this formalism to simulate the propagation of a charge during the collapse of a polymer from an initial stretched conformation to a final globular state. We find that the charge dynamics is quenched when the chain reaches a molten globule state. Using random matrix theory we show that this transition is due to an increase of quantum localization driven by dynamical disorder.Comment: 11 pages, 2 figure

Conservation law of operator current in open quantum systems

We derive a fundamental conservation law of operator current for master equations describing reduced quantum systems. If this law is broken, the temporal integral of the current operator of an arbitrary system observable does not yield in general the change of that observable in the evolution. We study Lindblad-type master equations as examples and prove that the application of the secular approximation during their derivation results in a violation of the conservation law. We show that generally any violation of the law leads to artificial corrections to the complete quantum dynamics, thus questioning the accuracy of the particular master equation.Comment: 5 pages, final versio

Spin- and entanglement-dynamics in the central spin model with homogeneous couplings

We calculate exactly the time-dependent reduced density matrix for the central spin in the central-spin model with homogeneous Heisenberg couplings. Therefrom, the dynamics and the entanglement entropy of the central spin are obtained. A rich variety of behaviors is found, depending on the initial state of the bath spins. For an initially unpolarized unentangled bath, the polarization of the central spin decays to zero in the thermodynamic limit, while its entanglement entropy becomes maximal. On the other hand, if the unpolarized environment is initially in an eigenstate of the total bath spin, the central spin and the entanglement entropy exhibit persistent monochromatic large-amplitude oscillations. This raises the question to what extent entanglement of the bath spins prevents decoherence of the central spin.Comment: 8 pages, 2 figures, typos corrected, published versio

Adaptive Resolution Molecular Dynamics Simulation: Changing the Degrees of Freedom on the Fly

We present a new adaptive resolution technique for efficient particle-based multiscale molecular dynamics (MD) simulations. The presented approach is tailor-made for molecular systems where atomistic resolution is required only in spatially localized domains whereas a lower mesoscopic level of detail is sufficient for the rest of the system. Our method allows an on-the-fly interchange between a given molecule's atomic and coarse-grained level of description, enabling us to reach large length and time scales while spatially retaining atomistic details of the system. The new approach is tested on a model system of a liquid of tetrahedral molecules. The simulation box is divided into two regions: one containing only atomistically resolved tetrahedral molecules, the other containing only one particle coarse-grained spherical molecules. The molecules can freely move between the two regions while changing their level of resolution accordingly. The coarse-grained and the atomistically resolved systems have the same statistical properties at the same physical conditions.Comment: 17 pages, 11 figures, 5 table

A Semiclassical Approach to Level Crossing in Supersymmetric Quantum Mechanics

Much use has been made of the techniques of supersymmetric quantum mechanics (SUSY QM) for studying bound-state problems characterized by a superpotential $\phi(x)$. Under the analytic continuation $\phi(x) \to i\phi(x)$, a pair of superpartner bound-state problems is transformed into a two-state level-crossing problem in the continuum. The description of matter-enhanced neutrino flavor oscillations involves a level-crossing problem. We treat this with the techniques of supersymmetric quantum mechanics. For the benefit of those not familiar with neutrino oscillations and their description, enough details are given to make the rest of the paper understandable. Many other level-crossing problems in physics are of exactly the same form. Particular attention is given to the fact that different semiclassical techniques yield different results. The best result is obtained with a uniform approximation that explicitly recognizes the supersymmetric nature of the system.Comment: 15 pages, Latex with lamuphys and psfig macros. Talk by first Author at the UIC "Supersymmetry and Integrable Models Workshop", Chicago, June 12-14, 1997; proceedings to be published in Springer Lecture Notes in Physics, H. Aratyn et al., eds. This paper also available at http://nucth.physics.wisc.edu/preprint