Adiabatic and non-adiabatic phonon dispersion in a Wannier function approach

We develop a first-principles scheme to calculate adiabatic and non-adiabatic phonon frequencies in the full Brillouin zone. The method relies on the variational properties of a force-constants functional with respect to the first-order perturbation of the electronic charge density and on the localization of the deformation potential in the Wannier function basis. This allows for calculation of phonon dispersion curves free from convergence issues related to Brillouin zone sampling. In addition our approach justify the use of the static screened potential in the calculation of the phonon linewidth due to decay in electron-hole pairs. We apply the method to the calculation of the phonon dispersion and electron-phonon coupling in MgB$_2$ and CaC$_6$. In both compounds we demonstrate the occurrence of several Kohn anomalies, absent in previous calculations, that are manifest only after careful electron and phonon momentum integration. In MgB$_2$, the presence of Kohn anomalies on the E$_{2g}$ branches improves the agreement with measured phonon spectra and affects the position of the main peak in the Eliashberg function. In CaC$_6$ we show that the non-adiabatic effects on in-plane carbon vibrations are not localized at zone center but are sizable throughout the full Brillouin zone. Our method opens new perspectives in large-scale first-principles calculations of dynamical properties and electron-phonon interaction.Comment: 18 pages, 8 figure

Nonlocality in mesoscopic Josephson junctions with strip geometry

We study the current in a clean superconductor-normal-metal-superconductor junction of length d and width w in the presence of an applied magnetic field H. We show that both the geometrical pattern of the current density and the critical current as a function of the total flux in the junction, depend on the ratio of the Josephson vortex distance a_0 and the range r of the nonlocal electrodynamics. In particular, the critical current has the periodicity of the superconducting flux quantum only for r<a_0 and acquires, due to boundary effects, the double (pseudo-) periodicity for strong nonlocality, r>a_0. Comparing our results to recent experiments of Heida et al. [Phys. Rev. B 57, R5618 (1998)] we find good agreement.Comment: 4 pages, 5 figures, to be published in the RC section of Phys. Rev.

Distributed optimal control of a nonstandard system of phase field equations

We investigate a distributed optimal control problem for a phase field model of Cahn-Hilliard type. The model describes two-species phase segregation on an atomic lattice under the presence of diffusion; it has been recently introduced by the same authors in arXiv:1103.4585v1 [math.AP] and consists of a system of two highly nonlinearly coupled PDEs. For this reason, standard arguments of optimal control theory do not apply directly, although the control constraints and the cost functional are of standard type. We show that the problem admits a solution, and we derive the first-order necessary conditions of optimality.Comment: Key words: distributed optimal control, nonlinear phase field systems, first-order necessary optimality condition

Electrostatics of Vortices in Type II Superconductors

In a type II superconductor the gap variation in the core of a vortex line induces a local charge modulation. Accounting for metallic screening, we determine the line charge of individual vortices and calculate the electric field distribution in the half space above a field penetrated superconductor. The resulting field is that of an atomic size dipole ${\bf d} \sim e a_{{\rm B}} {\bf {\hat z}}$, $a_{{\rm B}} = \hbar^2/m e^2$ is the Bohr radius, acting on a force microscope in the pico to femto Newton range.Comment: 9 pages, late

Characteristics of First-Order Vortex Lattice Melting: Jumps in Entropy and Magnetization

We derive expressions for the jumps in entropy and magnetization characterizing the first-order melting transition of a flux line lattice. In our analysis we account for the temperature dependence of the Landau parameters and make use of the proper shape of the melting line as determined by the relative importance of electromagnetic and Josephson interactions. The results agree well with experiments on anisotropic Y$_1$Ba$_2$Cu$_3$O$_{7-\delta}$ and layered Bi$_2$Sr$_2$Ca$_1$Cu$_2$O$_8$ materials and reaffirm the validity of the London model.Comment: 4 pages. We have restructured the paper to emphasize that in the London scaling regime (appropriate for YBCO) our results are essentially exact. We have also emphasized that a major controversy over the relevance of the London model to describe VL melting has been settled by this wor

A test of Local Realism with entangled kaon pairs and without inequalities

We propose the use of entangled pairs of neutral kaons, considered as a promising tool to close the well known loopholes affecting generic Bell's inequality tests, in a specific Hardy-type experiment. Hardy's contradiction without inequalities between Local Realism and Quantum Mechanics can be translated into a feasible experiment by requiring ideal detection efficiencies for only one of the observables to be alternatively measured. Neutral kaons are near to fulfil this requirement and therefore to close the efficiency loophole.Comment: 4 RevTeX page

Freezing transition of the vortex liquid in anisotropic superconductors

We study the solid-liquid transition of a model of pancake vortices in laminar superconductors using a density functional theory of freezing. The physical properties of the system along the melting line are discussed in detail. We show that there is a very good agreement with experimental data in the shape and position of the first order transition in the phase diagram and in the magnitude and temperature dependence of the magnetic induction jump at the transition. We analyze the validity of the Lindemann melting criterion and the Hansen-Verlet freezing criterion. Both criteria are shown to be good to predict the phase diagram in the region where a first order phase transition is experimentally observed.Comment: 9 pages, 10 figure