Structural, electronic and magnetic properties of SrRuO3_3 under epitaxial strain

Using density functional theory within the local spin density approximation, structural, electronic and magnetic properties of SRO are investigated. We examine the magnitude of the orthorhombic distortion in the ground state and also the effects of applying epitaxial constraints, whereby the influence of large (in the range of $\pm 4$) in-plane strain resulting from coherent epitaxy, for both [001] and [110] oriented films, have been isolated and investigated. The overall pattern of the structural relaxations reveal coherent distortions of the oxygen octahedra network, which determine stability of the magnetic moment on the Ru ion. The structural and magnetic parameters exhibit substantial changes allowing us to discuss the role of symmetry and possibilities of magneto-structural tuning of \SRO-based thin film structures.Comment: 11 page

Low-temperature phase transformations of PZT in the morphotropic phase-boundary region

We present anelastic and dielectric spectroscopy measurements of PbZr(1-x)Ti(x)O(3) with 0.455 < x < 0.53, which provide new information on the low temperature phase transitions. The tetragonal-to-monoclinic transformation is first-order for x < 0.48 and causes a softening of the polycrystal Young's modulus whose amplitude may exceed the one at the cubic-to-tetragonal transformation; this is explainable in terms of linear coupling between shear strain components and tilting angle of polarization in the monoclinic phase. The transition involving rotations of the octahedra below 200 K is visible both in the dielectric and anelastic losses, and it extends within the tetragonal phase, as predicted by recent first-principle calculations.Comment: 4 pages, 4 figure

Polarity control of carrier injection at ferroelectric/metal interfaces for electrically switchable diode and photovoltaic effects

We investigated a switchable ferroelectric diode effect and its physical mechanism in Pt/BiFeO3/SrRuO3 thin-film capacitors. Our results of electrical measurements support that, near the Pt/BiFeO3 interface of as-grown samples, a defective layer (possibly, an oxygen-vacancy-rich layer) becomes formed and disturbs carrier injection. We therefore used an electrical training process to obtain ferroelectric control of the diode polarity where, by changing the polarization direction using an external bias, we could switch the transport characteristics between forward and reverse diodes. Our system is characterized with a rectangular polarization hysteresis loop, with which we confirmed that the diode polarity switching occurred at the ferroelectric coercive voltage. Moreover, we observed a simultaneous switching of the diode polarity and the associated photovoltaic response dependent on the ferroelectric domain configurations. Our detailed study suggests that the polarization charge can affect the Schottky barrier at the ferroelectric/metal interfaces, resulting in a modulation of the interfacial carrier injection. The amount of polarization-modulated carrier injection can affect the transition voltage value at which a space-charge-limited bulk current-voltage (J-V) behavior is changed from Ohmic (i.e., J ~ V) to nonlinear (i.e., J ~ V^n with n \geq 2). This combination of bulk conduction and polarization-modulated carrier injection explains the detailed physical mechanism underlying the switchable diode effect in ferroelectric capacitors.Comment: Accepted for publication in Phys. Rev.

Concentration phase diagram of Ba(x)Sr(1-x)TiO3 solid solutions

Method of derivation of phenomenological thermodynamic potential of solid solutions is proposed in which the interaction of the order parameters of constituents is introduced through the account of elastic strain due to misfit of the lattice parameters of the end-members. The validity of the method is demonstrated for Ba(x)Sr(1-x)TiO3 system being a typical example of ferroelectric solid solution. Its phase diagram is determined using experimental data for the coefficients in the phenomenological potentials of SrTiO3 and BaTiO3. In the phase diagram of the Ba(x)Sr(1-x)TiO3 system for small Ba concentration, there are a tricritical point and two multiphase points one of which is associated with up to 6 possible phases.Comment: 8 pages, 3 figure

Metal-Ferroelectric-Metal heterostructures with Schottky contacts I. Influence of the ferroelectric properties

A model for Metal-Ferroelectric-Metal structures with Schottky contacts is proposed. The model adapts the general theories of metal-semiconductor rectifying contacts for the particular case of metal-ferroelectric contact by introducing: the ferroelectric polarization as a sheet of surface charge located at a finite distance from the electrode interface; a deep trapping level of high concentration; the static and dynamic values of the dielectric constant. Consequences of the proposed model on relevant quantities of the Schottky contact such as built-in voltage, charge density and depletion width, as well as on the interpretation of the current-voltage and capacitance-voltage characteristics are discussed in detail.Comment: 14 pages with 4 figures, manuscript under revision at Journal of Applied Physics for more than 1 year (submitted May 2004, first revision September 2004, second revision May 2005

Octahedral Tilt Instability of ReO_3-type Crystals

The octahedron tilt transitions of ABX_3 perovskite-structure materials lead to an anti-polar (or antiferroelectric) arrangement of dipoles, with the low temperature structure having six sublattices polarized along various crystallographic directions. It is shown that an important mechanism driving the transition is long range dipole-dipole forces acting on both displacive and induced parts of the anion dipole. This acts in concert with short range repulsion, allowing a gain of electrostatic (Madelung) energy, both dipole-dipole and charge-charge, because the unit cell shrinks when the hard ionic spheres of the rigid octahedron tilt out of linear alignment.Comment: 4 page with 3 figures included; new version updates references and clarifies the argument

Influence of the electric field on the latent heat of the ferroelectric phase transition in KDP

The specific heat, heat flux (DTA trace) and dielectric constant of KDP ferroelectric crystal have been measured simultaneously for various electric fields with a conduction calorimeter. The specific heat presents a strong anomaly but these simultaneous measurements allow us to evaluate the latent heat accurately. Latent heat decreases with field and the value of critical electric field --that where latent heat disappears-- is estimated to be (0.44\pm0.03) kV/cm. Incidentally, we have measured simultaneously the dielectric permittivity which suggests that latent heat is developed as domains are growing.Comment: 7 pages, 6 figures, ReVTeX, twocolumn format, to appear in J. Phys. Cond. Matte

Electronic structure, magnetism and superconductivity of MgCNi3_{3}

The electronic structure of the newly discovered superconducting perovskite MgCNi$_3$ is calculated using the LMTO and KKR methods. The states near the Fermi energy are found to be dominated by Ni-d. The Stoner factor is low while the electron-phonon coupling constant is estimated to be about 0.7, which suggests that the material is a conventional type of superconductor where T$_C$ is not affected by magnetic interactions. However, the proximity of the Fermi energy to a large peak in the density of states in conjunction with the reported non-stoichiometry of the compound, has consequences for the stability of the results.Comment: 3 pages, 4 figure

Robotic geometric and volumetric inspection of high value and large scale aircraft wings

Increased demands in performance and production rates require a radical new approach to the design and manufacturing of aircraft wings. Performance of modern robotic manipulators has enabled research and development of fast automated non-destructive testing (NDT) systems for complex geometries. This paper presents recent outcomes of work aimed at removing the bottleneck due to data acquisition rates, to fully exploit the scanning speed of modern 6-DoF manipulators. The geometric assessment of the parts is carried out with a robotised dynamic laser scanner encoded through an absolute laser tracker. This method allows scanning speeds up to 330mm/s at 1mm pitch. State of the art ultrasonic instrumentation has been integrated into a large robot cell to enable fast data acquisition, high scan resolutions and accurate positional encoding. A fibre optic connection between the ultrasonic instrument and the server computer enables data transfer rates up to 1.6 GB/s. The robotic inspection system presented herein is currently being tested for industrial exploitation. The adopted system integration strategies allow traditional ultrasonic phased array scanning as well as full matrix capture (FMC) and other novel scanning approaches (e.g. multi-Tx phased array). Scan results, relative to a 1.2m x 3m carbon fibre sample, are presented. The system shows a reference scanning rate of 25.3m2/hour with an 8Tx/8Rx PA approach and an ultrasonically reachable scanning rate over 100m2/hour with the novel techniques

Dynamics of cubic-tetragonal phase transition in KNbO3_3 perovskite

The low-energy part of the vibration spectrum in KNbO$_3$ was studied by cold neutron inelastic scattering in the cubic phase. In addition to acoustic phonons, we observe strong diffuse scattering, which consists of two components. The first one is quasi-static and has a temperature-independent intensity. The second component appears as quasi-elastic scattering in the neutron spectrum indicating a dynamic origin. From analysis of the inelastic data we conclude that the quasi-elastic component and the acoustic phonon are mutually coupled. The susceptibility associated with the quasi-elastic component grows as the temperature approaches T$_C$