Dielectric and dc electrical studies of antiferroelectric lead zirconate thin films

Antiferroelectric lead zirconate thin films were deposited using KrF (248 nm) excimer laser ablation technique. Utilization of antiferroelectric materials is proposed in high charge storage capacitors and microelectromechanical (MEMs) devices. The antiferroelectric nature of lead zirconate thin films was confirmed by the presence of double hysteresis behavior in polarization versus applied field response. By controlling the processing parameters, two types of microstructures evolved, namely columnar (or in-situ) and multi-grained (or ex-situ) in PZ thin films. The dielectric and electrical properties of the lead zirconate thin films were studied with respect to the processing parameters. Analysis on charge transport mechanism, using space charge limited conduction phenomenon, showed the presence of both shallow and deep trap sites in the PZ thin films. The estimated shallow trap energies were 0.448 and 0.491 eV for in-situ and ex-situ films, with respective concentrations of approximate to 7.9 x 10(18)/cc and approximate to 2.97 x 10(18)/cc. The deep trap energies with concentrations were 1.83 eV with 1.4 x 10(16)/cc for ex-situ and 1.76 eV with 3.8 x 10(16)/cc for in-situ PZ thin films, respectively. These activation energies were found to be consistent with the analysis from Arrhenius plots of de current densities. (C) 2000 Elsevier Science S.A. All rights reserved.

Double time window targeting technique: Real-time DMRG dynamics in the Pariser-Parr-Pople model

We present a generalized adaptive time-dependent density matrix renormalization-group (DMRG) scheme, called the double time window targeting (DTWT) technique, which gives accurate results with nominal computational resources, within reasonable computational time. This procedure originates from the amalgamation of the features of pace keeping DMRG algorithm, first proposed by Luo et al. [Phys. Rev. Lett. 91, 049701 (2003)] and the time-step targeting algorithm by Feiguin and White [Phys. Rev. B 72, 020404 (2005)]. Using the DTWT technique, we study the phenomena of spin-charge separation in conjugated polymers (materials for molecular electronics an spintronics), which have long-range electron-electron interactions and belong to the class of strongly correlated low-dimensional many-body systems. The issue of real-time dynamics within the Pariser-Parr-Pople (PPP) model which includes long-range electron correlations has not been addressed in the literature so far. The present study on PPP chains has revealed that, (i) long-range electron correlations enable both the charge and spin degree of freedom of the electron, to propagate faster in the PPP model compared to Hubbard model, (ii) for standard parameters of the PPP model as applied to conjugated polymers, the charge velocity is almost twice that of the spin velocity, and (iii) the simplistic interpretation of long-range correlations by merely renormalizing the U value of the Hubbard model fails to explain the dynamics of doped holes/electrons in the PPP model.

Tunnel transport in polypyrrole at low temperature

The anomalous behaviour of conductivity below 4 K in polypyrrole can be attributed to the possibility of tunnel transport in disordered polaronic systems. The deviation from T-1/3 and T-1/4, depending on disorder, can be due to the onset of tunnel transport between localised states, apart from the hopping contribution to the conductivity. In intermediately and lightly doped polypyrrole films, the tunnel contribution to conductivity increases with decreasing temperature in a narrow temperature range, which is a feature of the presence of polarons taking part in the conduction mechanisms of disordered systems with strong electron-phonon coupling. The transition from hopping to tunneling dominated process can be observed either by the increase in conductivity in some cases or by the saturation of conductivity, depending crucially on the extent of disorder in the sample. In both cases the transition temperature is seen to increase with the reduction in the number of localised states.

Investigation of novel cuprates of the TlCa1-xLnxSr2Cu2O7- δ (Ln=rare earth) series showing electron- or hole-superconductivity depending on the composition

Superconductivity in cuprates of the general formula TlCa1-xLnxSr2Cu2O7+ delta has been investigated as a function of Ln and x. Compositions with 0.25electrons are the majority charge carriers, while holes are the majority carrier when x >0.25. Thus, these cuprates exhibit a composition-dependent electron- or hole-superconductivity. In the normal state, most of the members of the series traverse compositionally determined metal-insulator transitions. High-energy spectroscopies show the presence of Cu in the 1+ and 2+ states. The Raman frequency around 525 cm-1 characteristic of the Tl-O2-Cu linkage is sensitive to both Ln and x, indicating a possible involvement in the mechanism of superconductivity.

Magnetotransport of Dirac fermions on the surface of a topological insulator

We study the properties of Dirac fermions on the surface of a topological insulator in the presence of crossed electric and magnetic fields. We provide an exact solution to this problem and demonstrate that, in contrast to their counterparts in graphene, these Dirac fermions allow relative tuning of the orbital and Zeeman effects of an applied magnetic field by a crossed electric field along the surface. We also elaborate and extend our earlier results on normal-metal-magnetic film-normal metal (NMN) and normal-metal-barrier-magnetic film (NBM) junctions of topological insulators [S. Mondal, D. Sen, K. Sengupta, and R. Shankar, Phys. Rev. Lett. 104, 046403 (2010)]. For NMN junctions, we show that for Dirac fermions with Fermi velocity vF, the transport can be controlled using the exchange field J of a ferromagnetic film over a region of width d. The conductance of such a junction changes from oscillatory to a monotonically decreasing function of d beyond a critical J which leads to the possible realization of magnetic switches using these junctions. For NBM junctions with a potential barrier of width d and potential V-0, we find that beyond a critical J, the criteria of conductance maxima changes from chi=eV(0)d/h upsilon(F)=n pi to chi=(n+1/2)pi for integer n. Finally, we compute the subgap tunneling conductance of a normal-metal-magnetic film-superconductor junctions on the surface of a topological insulator and show that the position of the peaks of the zero-bias tunneling conductance can be tuned using the magnetization of the ferromagnetic film. We point out that these phenomena have no analogs in either conventional two-dimensional materials or Dirac electrons in graphene and suggest experiments to test our theory.

Transient Momentum and Enthalpy Transfer in Packed Beds at High Reynolds Numbers

An experimental study for transient temperature response and pressure drop in a randomly packed bed at high Reynolds numbers is presented.The packed bed is used as a compact heat exchanger along with a solid-propellant gas generator, to generate room-temperature gases for use in control actuation, air bottle pressurization, etc. Packed beds of lengths 200 and 300 mm were characterized for packing-sphere-based Reynolds numbers ranging from 0.8 x 10(4) to 8.5 x 10(4).The solid packing used in the bed consisted of phi 9.5 mm steel spheres. The bed-to-particle diameter ratio was with the average packed-bed porosity around 0.43. The inlet flow temperature was unsteady and a mesh of spheres was used at either end to eliminate flow entrance and exit effects. Gas temperature and pressure were measured at the entry, exit,and at three axial locations along centerline in the packed beds. The solid packing temperature was measured at three axial locations in the packed bed. A correlation based on the ratio of pressure drop and inlet-flow momentum (Euler number) exhibited an asymptotically decreasing trend with increasing Reynolds number. Axial conduction across the packed bed was found to he negligible in the investigated Reynolds number range. The enthalpy absorption rate to solid packing from hot gases is plotted as a function of a nondimensional time constant for different Reynolds numbers. A longer packed bed had high enthalpy absorption rate at Reynolds number similar to 10(4), which decreased at Reynolds number similar to 10(5). The enthalpy absorption plots can be used for estimating enthalpy drop across packed bed with different material, but for a geometrically similar packing.

Electrochemical reduction of oxygen on gold and boron-doped diamond electrodes in ambient temperature, molten acetamide-urea-ammonium nitrate eutectic melt

The electrochemical reduction of oxygen has been studied on gold, boron-doped diamond (BDD) and glassy carbon (GC) electrodes in a ternary eutectic mixture of acetamide (CH3CONH2), urea (NH2CONH2) and ammonium nitrate (NH4NO3). Cyclic voltammetry (CV), differential pulse voltammetry (DPV), chronoamperometry and rotating disk electrode (RDE) voltammetry techniques have been employed to follow oxygen reduction reaction (ORR). The mechanism for the electrochemical reduction of oxygen on polycrystalline gold involves 2-step. 2-electron pathways of O-2 to H2O2 and further reduction of H2O2 to H2O. The first 2-electron reduction of O-2 to H2O2 passes through superoxide intermediate by 1-electron reduction of oxygen. Kinetic results suggest that the initial 1-electron reduction of oxygen to HO2 is the rate-determining step of ORR on gold surfaces. The chronoamperometric and ROE studies show a potential dependent change in the number of electrons on gold electrode. The oxygen reduction reaction on boron-doped diamond (BOO) seems to proceed via a direct 4-electron process. The reduction of oxygen on the glassy carbon (GC) electrode is a single step, irreversible, diffusion limited 2-electron reduction process to peroxide. (C) 2010 Elsevier Ltd. All rights reserved.

Rigorous scaling law for the heat current in disordered harmonic chain

We study the energy current in a model of heat conduction, first considered in detail by Casher and Lebowitz. The model consists of a one-dimensional disordered harmonic chain of n i.i.d. random masses, connected to their nearest neighbors via identical springs, and coupled at the boundaries to Langevin heat baths, with respective temperatures T_1 and T_n. Let EJ_n be the steady-state energy current across the chain, averaged over the masses. We prove that EJ_n \sim (T_1 - T_n)n^{-3/2} in the limit n \to \infty, as has been conjectured by various authors over the time. The proof relies on a new explicit representation for the elements of the product of associated transfer matrices.

The hard-particle model for a dense granular flow down an inclined plane

Perfectly hard particles are those which experience an infinite repulsive force when they overlap, and no force when they do not overlap. In the hard-particle model, the only static state is the isostatic state where the forces between particles are statically determinate. In the flowing state, the interactions between particles are instantaneous because the time of contact approaches zero in the limit of infinite particle stiffness. Here, we discuss the development of a hard particle model for a realistic granular flow down an inclined plane, and examine its utility for predicting the salient features both qualitatively and quantitatively. We first discuss Discrete Element simulations, that even very dense flows of sand or glass beads with volume fraction between 0.5 and 0.58 are in the rapid flow regime, due to the very high particle stiffness. An important length scale in the shear flow of inelastic particles is the `conduction length' delta = (d/(1 - e(2))(1/2)), where d is the particle diameter and e is the coefficient of restitution. When the macroscopic scale h (height of the flowing layer) is larger than the conduction length, the rates of shear production and inelastic dissipation are nearly equal in the bulk of the flow, while the rate of conduction of energy is O((delta/h)(2)) smaller than the rate of dissipation of energy. Energy conduction is important in boundary layers of thickness delta at the top and bottom. The flow in the boundary layer at the top and bottom is examined using asymptotic analysis. We derive an exact relationship showing that the a boundary layer solution exists only if the volume fraction in the bulk decreases as the angle of inclination is increased. In the opposite case, where the volume fraction increases as the angle of inclination is increased, there is no boundary layer solution. The boundary layer theory also provides us with a way of understanding the cessation of flow when at a given angle of inclination when the height of the layer is decreased below a value h(stop), which is a function of the angle of inclination. There is dissipation of energy due to particle collisions in the flow as well as due to particle collisions with the base, and the fraction of energy dissipation in the base increases as the thickness decreases. When the shear production in the flow cannot compensate for the additional energy drawn out of the flow due to the wall collisions, the temperature decreases to zero and the flow stops. Scaling relations can be derived for h(stop) as a function of angle of inclination.

Calculation of Coulomb interaction strengths for 3d transition metals and actinides

Coulomb interaction strengths (Udd and Uff) have been calculated from Hartree-Fock-Slater atomic calculations for 3d transition and 5f actinide elements, respectively. By decomposing the different contributions to the response (screening) to the 3d charge fluctuation, we show that a substantial reduction in Udd arises due to the relaxation of the 3d charge distribution itself. This, combined with the screening due to the response of the 4s charge density, is shown to provide a very compact screening charge comparable to the metallic case, explaining the success of the atomic calculations for estimating U even in the metals. A pronounced dependence of Udd (or Uff) on the number of electrons nd (nf) or the electronic configuration is also shown here.

Electronic structure of high-Tc Ba0.6K0.4BiO3 by x-ray photoelectron spectroscopy

We have investigated the electronic structure of Ba1-xKxBiO3 (0conduction in the Ba-K-Bi-O and Ba-Pb-Bi-O systems.

A comparative study of the magnetic and electrical properties of perovskite oxides and the corresponding two-dimensional oxides of K2NiF4

Electrical and magnetic properties of several oxide systems of K2NiF4 structure have been compared to those of the corresponding perovskites. Members of the La1−xSr1+xCoO4 system are all semiconductors with a high activation energy for conduction unlike La1−xSrxCoO3 (x ≥ 0.3) which is metallic; the latter oxides are ferromagnetic. La0.5Sr1.5CoO4 shows a magnetization of 0.5 μB at 0 K (compared to 1.5 μB of La0.5Sr0.5CoO3), but the high-temperature susceptibilities of the two systems are comparable. In SrO · (La0.5Sr0.5MnO3)n, both magnetization and electrical conductivity increase with the increase in n approaching the value of the perovskite La0.5Sr0.5MnO3. LaSrMn0.5Ni0.5(Co0.5)O4 shows no evidence of long-range ferromagnetic ordering unlike the perovskite LaMn0.5Ni0.5(Co0.5)O3; high-temperature susceptibility behavior of these two insulating systems is, however, similar. LaSr1−xBaxNiO4 exhibits high electrical resistivity with the resistivity increasing proportionately with the magnetic susceptibility (note that LaNiO3 is a Pauli-paramagnetic metal). High-temperature susceptibility of LaSrNiO4 and LaNiO3 are comparable. Susceptibility measurements show no evidence for long-range ordering in LaSrFe1−xNixO4 unlike in LaFe1−xNixO3 (x ≤ 0.35) and the electrical resistivity of the former is considerably higher. Electrical resistivity of Sr2RuO4 is more than an order of magnitude higher than that of SrRuO3. Some generalizations of the properties of two- and three-dimensional oxide systems have emerged from these experimental observations.

Transport and magnetic properties of conducting polyaniline doped with BX3 (X=F, Cl, and Br)

We report transport and magnetic properties of a different class of highly conducting polyaniline, doped with boron trihalides BX3 (X=F, Cl, and Br). In order to understand the transport mechanism we analyze the temperature dependence of resistivity of a large number of samples, made by pelletizing doped polyaniline powder and by doping films of polyaniline. We find that the charge transport in this class of conducting polyaniline is driven by the charging-energy limited transport of charge carriers, in contrast to the quasi-one-dimensional variable range hopping conduction prevalent in conventional proton-doped polyaniline samples. Magnetic susceptibility provides further insight into the unusually high intrinsic conductivity behavior.

Myotonic dystrophy type 2 (DM2) : Diagnostic methods and molecular pathology

Myotonic dystrophies type 1 (DM1) and type 2 (DM2) are the most common forms of muscular dystrophy affecting adults. They are autosomal dominant diseases caused by microsatellite tri- or tetranucleotide repeat expansion mutations in transcribed but not translated gene regions. The mutant RNA accumulates in nuclei disturbing the expression of several genes. The more recently identified DM2 disease is less well known, yet more than 300 patients have been confirmed in Finland thus far, and the true number is believed to be much higher. DM1 and DM2 share some features in general clinical presentation and molecular pathology, yet they show distinctive differences, including disease severity and differential muscle and fiber type involvement. However, the molecular differences underlying DM1 and DM2 muscle pathology are not well understood. Although the primary tissue affected is muscle, both DMs show a multisystemic phenotype due to wide expression of the mutation-carrying genes. DM2 is particularly intriguing, as it shows an incredibly wide spectrum of clinical manifestations. For this reason, it constitutes a real diagnostic challenge. The core symptoms in DM2 include proximal muscle weakness, muscle pain, myotonia, cataracts, cardiac conduction defects and endocrinological disturbations; however, none of these is mandatory for the disease. Myalgic pains may be the most disabling symptom for decades, sometimes leading to incapacity for work. In addition, DM2 may cause major socio-economical consequences for the patient, if not diagnosed, due to misunderstanding and false stigmatization. In this thesis work, we have (I) improved DM2 differential diagnostics based on muscle biopsy, and (II) described abnormalities in mRNA and protein expression in DM1 and DM2 patient skeletal muscles, showing partial differences between the two diseases, which may contribute to muscle pathology in these diseases. This is the first description of histopathological differences between DM1 and DM2, which can be used in differential diagnostics. Two novel high-resolution applications of in situ -hybridization have been described, which can be used for direct visualization of the DM2 mutation in muscle biopsy sections, or mutation size determination on extended DNA-fibers. By measuring protein and mRNA expression in the samples, differential changes in expression patterns affecting contractile proteins, other structural proteins and calcium handling proteins in DM2 compared to DM1 were found. The dysregulation at mRNA level was caused by altered transciption and abnormal splicing. The findings reported here indicate that the extent of aberrant splicing is higher in DM2 compared to DM1. In addition, the described abnormalities to some extent correlate to the differences in fiber type involvement in the two disorders.

Effect of Li substitution on dielectric and ferroelectric properties of ZnO thin films grown by pulsed-laser ablation

Li-doped ZnO thin films (Zn1-xLixO, x=0.05-0.15) were grown by pulsed-laser ablation technique. Highly c-axis-oriented films were obtained at a growth temperature of 500 degrees C. Ferroelectricity in Zn1-xLixO was found from the temperature-dependent dielectric constant and from the polarization hysteresis loop. The transition temperature (T-c) varied from 290 to 330 K as the Li concentration increased from 0.05 to 0.15. It was found that the maximum value of the dielectric constant at T-c is a function of Li concentration. A symmetric increase in memory window with the applied gate voltage is observed for the ferroelectric thin films on a p-type Si substrate. A ferroelectric P-E hysteresis loop was observed for all the compositions. The spontaneous polarization (P-s) and coercive field (E-c) of 0.6 mu C/cm(2) and 45 kV/cm were obtained for Zn0.85Li0.15O thin films. These observations reveal that partial replacement of host Zn by Li ions induces a ferroelectric phase in the wurtzite-ZnO semiconductor. The dc transport studies revealed an Ohmic behavior in the lower-voltage region and space-charge-limited conduction prevailed at higher voltages. The optical constants were evaluated from the transmission spectrum and it was found that Li substitution in ZnO enhances the dielectric constant.