Accurate polarization within a unified Wannier function formalism

We present an alternative formalism for calculating the maximally localized Wannier functions in crystalline solids, obtaining an expression which is extremely simple and general. In particular, our scheme is exactly invariant under Brillouin zone folding, and therefore it extends trivially to the Gamma-point case. We study the convergence properties of the Wannier functions, their quadratic spread and centers as obtained by our simplified technique. We show how this convergence can be drastically improved by a simple and inexpensive ``refinement'' step, which allows for very efficient and accurate calculations of the polarization in zero external field.Comment: 9 pages, 4 figure

The Inverse Amplitude Method and Adler Zeros

The Inverse Amplitude Method is a powerful unitarization technique to enlarge the energy applicability region of Effective Lagrangians. It has been widely used to describe resonances from Chiral Perturbation Theory as well as for the Strongly Interacting Symmetry Breaking Sector. In this work we show how it can be slightly modified to account also for the sub-threshold region, incorporating correctly the Adler zeros required by chiral symmetry and eliminating spurious poles. These improvements produce negligible effects on the physical region.Comment: 17 pages, 4 figure

Ab-initio theory of metal-insulator interfaces in a finite electric field

We present a novel technique for calculating the dielectric response of metal/insulator heterostructures. This scheme allows, for the first time, the fully first-principles calculation of the microscopic properties of thin-film capacitors at finite bias potential. The method can be readily applied to pure insulators, where it provides an interesting alternative to conventional finite-field techniques based on the Berry-phase formalism. We demonstrate the effectiveness of our method by performing comprehensive numerical tests on a model Ag/MgO/Ag heterostructure.Comment: 10 pages, 5 figures, major revisio

Influence of strain and oxygen vacancies on the magnetoelectric properties of multiferroic bismuth ferrite

The dependencies on strain and oxygen vacancies of the ferroelectric polarization and the weak ferromagnetic magnetization in the multiferroic material bismuth ferrite, BiFeO_3, are investigated using first principles density functional theory calculations. The electric polarization is found to be rather independent of strain, in striking contrast to most conventional perovskite ferroelectrics. It is also not significantly affected by oxygen vacancies, or by the combined presence of strain and oxygen vacancies. The magnetization is also unaffected by strain, however the incorporation of oxygen vacancies can alter the magnetization slightly, and also leads to the formation of Fe^{2+}. These results are discussed in light of recent experiments on epitaxial films of BiFeO_3 which reported a strong thickness dependence of both magnetization and polarization.Comment: 9 pages, 3 figure

Self modulated dynamics of a relativistic charged particle beam in plasma wake field excitation

Self modulated dynamics of a relativistic charged particle beam is reviewed within the context of the theory of plasma wake field excitation. The self-consistent description of the beam dynamics is provided by coupling the Vlasov equation with a Poisson-type equation relating the plasma wake potential to the beam density. An analysis of the beam envelope self-modulation is then carried out and the criteria for the occurrence of the instability are discussed thereby.Comment: This is a 10 pages manuscript which contain 4 figures. This manuscript is recently submitted in 'Nuclear Instruments and Methods in Physics Research Section A' as a proceeding of the conference 'EAAC 2015

Classical and Quantum-like approaches to Charged-Particle Fluids in a Quadrupole

A classical description of the dynamics of a dissipative charged-particle fluid in a quadrupole-like device is developed. It is shown that the set of the classical fluid equations contains the same information as a complex function satisfying a Schrodinger-like equation in which Planck's constant is replaced by the time-varying emittance, which is related to the time-varying temperature of the fluid. The squared modulus and the gradient of the phase of this complex function are proportional to the fluid density and to the current velocity, respectively. Within this framework, the dynamics of an electron bunch in a storage ring in the presence of radiation damping and quantum-excitation is recovered. Furthermore, both standard and generalized (including dissipation) coherent states that may be associated with the classical particle fluids are fully described in terms of the above formalism.Comment: LaTex, to appear in Physica Script

Mass spectrum from stochastic Levy-Schroedinger relativistic equations: possible qualitative predictions in QCD

Starting from the relation between the kinetic energy of a free Levy-Schroedinger particle and the logarithmic characteristic of the underlying stochastic process, we show that it is possible to get a precise relation between renormalizable field theories and a specific Levy process. This subsequently leads to a particular cut-off in the perturbative diagrams and can produce a phenomenological mass spectrum that allows an interpretation of quarks and leptons distributed in the three families of the standard model.Comment: 8 pages, no figures. arXiv admin note: substantial text overlap with arXiv:1008.425

Specifying and Analysing SOC Applications with COWS

COWS is a recently defined process calculus for specifying and combining service-oriented applications, while modelling their dynamic behaviour. Since its introduction, a number of methods and tools have been devised to analyse COWS specifications, like e.g. a type system to check confidentiality properties, a logic and a model checker to express and check functional properties of services. In this paper, by means of a case study in the area of automotive systems, we demonstrate that COWS, with some mild linguistic additions, can model all the phases of the life cycle of service-oriented applications, such as publication, discovery, negotiation, orchestration, deployment, reconfiguration and execution. We also provide a flavour of the properties that can be analysed by using the tools mentioned above

The Sensoria Approach Applied to the Finance Case Study

This chapter provides an effective implementation of (part of) the Sensoria approach, specifically modelling and formal analysis of service-oriented software based on mathematically founded techniques. The ‘Finance case study’ is used as a test bed for demonstrating the feasibility and effectiveness of the use of the process calculus COWS and some of its related analysis techniques and tools. In particular, we report the results of an application of a temporal logic and its model checker for expressing and checking functional properties of services and a type system for guaranteeing confidentiality properties of services