Ferroelectric Dead Layer Driven by a Polar Interface

Based on first-principles and model calculations we investigate the effect of polar interfaces on the ferroelectric stability of thin-film ferroelectrics. As a representative model, we consider a TiO2-terminated BaTiO3 film with LaO monolayers at the two interfaces that serve as doping layers. We find that the polar interfaces create an intrinsic electric field that is screened by the electron charge leaking into the BaTiO3 layer. The amount of the leaking charge is controlled by the boundary conditions which are different for three heterostructures considered, namely Vacuum/LaO/BaTiO3/LaO, LaO/BaTiO3, and SrRuO3/LaO/BaTiO3/LaO. The intrinsic electric field forces ionic displacements in BaTiO3 to produce the electric polarization directed into the interior of the BaTiO3 layer. This creates a ferroelectric dead layer near the interfaces that is non-switchable and thus detrimental to ferroelectricity. Our first-principles and model calculations demonstrate that the effect is stronger for a larger effective ionic charge at the interface and longer screening length due to a stronger intrinsic electric field that penetrates deeper into the ferroelectric. The predicted mechanism for a ferroelectric dead layer at the interface controls the critical thickness for ferroelectricity in systems with polar interfaces.Comment: 33 Pages, 5 figure

Lidar Measurements of Canadian Forest Fire Smoke Episode Observed in July 2013 over Warsaw, Poland

This paper presents a preliminary study of aerosol optical properties of air-mass advected on 10th July 2013 from Canada above Warsaw, Poland, during the forest fire event that occurred in Quebec at the beginning of July 2013. The observations were conducted with use of the modern version of 8-channel PollyXT lidar capable of measuring at 3β+2α+2δ+VW and interpreted with available information from the MACC model, the CALIPSO and MODIS satellite sensors, the AERONET data products and the data gathered within the Poland-AOD network

Towards an optimization of turbulence effects on heat and mass transfer in evaporating and reacting gas turbine sprays

ABSTRACT In this paper, the way towards an optimization of turbulence effects on heat and mass transfer in evaporating and reacting GT-sprays is outlined. It is based on an accurate consideration of coupling between turbulence and turbulence modulation, swirl intensity and non-equilibrium effects during the vaporization. This is achieved by including a physically consistent modelling of turbulence modulation phenomena that allows to better retrieve mass and heat transport effects on the droplet surface, and therefore improves the prediction of processes, like evaporation and combustion, which in turn affect the turbulence. For this purpose, an Euler-Lagrangian method in conjunction with advanced models has been used in RANScontext and applied to the numerical study of a single gas turbine combustor configuration. a) To quantify, to control or to optimize the effects of turbulence along with the swirl intensity effects, a mixing parameter has been introduced. b) Under reacting conditions, it is shown how the evaporation characteristics, mixing rate and combustion process are influenced by turbulence. In particular, the turbulence modulation modifies the evaporation rate, which in turn influences the mixing and the species concentration distribution. It is demonstrated that this effect can not be neglected far from the nozzle for low swirl intensities (Sw.Nu.<1) and close to the nozzle for high swirl number intensities. All these findings can well be used to optimize turbulence effects in evaporating and reacting sprays. INTRODUCTION The success of some promising approaches, such as the LPP-or the RQL-concept strategies, that can help to limit gas turbine emissions, depends on a suitable homogeneity of the air-fuel mixture in the reaction zone. To achieve this goal by means of numerical simulations, an accurate determination of droplet and vapour spatial distribution and a reliable control of the interaction between the evaporating and reacting spray with the surrounding turbulent gas flow are prerequisite. As pointed out in [1, 2] a considerable amount of works have been done including diverse parameter studies (e. g. [1-5, 8-15, 20-25, 34]. However, there are relatively few experimental and numerical results devoted to the effects of turbulence characteristics on spray combustio

Coexistence of Magnetic Order and Two-dimensional Superconductivity at LaAlO3_3/SrTiO3_3 Interfaces

A two dimensional electronic system with novel electronic properties forms at the interface between the insulators LaAlO$_3$ and SrTiO$_3$. Samples fabricated until now have been found to be either magnetic or superconducting, depending on growth conditions. We combine transport measurements with high-resolution magnetic torque magnetometry and report here evidence of magnetic ordering of the two-dimensional electron liquid at the interface. The magnetic ordering exists from well below the superconducting transition to up to 200 K, and is characterized by an in-plane magnetic moment. Our results suggest that there is either phase separation or coexistence between magnetic and superconducting states. The coexistence scenario would point to an unconventional superconducting phase in the ground state.Comment: 10 pages, 4 figure

Micro-Hall Magnetometry Studies of Thermally Assisted and Pure Quantum Tunneling in Single Molecule Magnet Mn12-Acetate

We have studied the crossover between thermally assisted and pure quantum tunneling in single crystals of high spin (S=10) uniaxial single molecule magnet Mn12-acetate using micro-Hall effect magnetometry. Magnetic hysteresis experiments have been used toinvestigate the energy levels that determine the magnetization reversal as a function of magnetic field and temperature. These experiments demonstrate that the crossover occurs in a narrow (~0.1 K) or broad (~1 K) temperature interval depending on the magnitude and direction of the applied field. For low external fields applied parallel to the easy axis, the energy levels that dominate the tunneling shift abruptly with temperature. In the presence of a transverse field and/or large longitudinal field these energy levels change with temperature more gradually. A comparison of our experimental results with model calculations of this crossover suggest that there are additional mechanisms that enhance the tunneling rate of low lying energy levels and broaden the crossover for small transverse fields.Comment: 5 pages, 5 figure

Instability, Intermixing and Electronic Structure at the Epitaxial LaAlO3/SrTiO3(001) Heterojunction

The question of stability against diffusional mixing at the prototypical LaAlO3/SrTiO3(001) interface is explored using a multi-faceted experimental and theoretical approach. We combine analytical methods with a range of sensitivities to elemental concentrations and spatial separations to investigate interfaces grown using on-axis pulsed laser deposition. We also employ computational modeling based on the density function theory as well as classical force fields to explore the energetic stability of a wide variety of intermixed atomic configurations relative to the idealized, atomically abrupt model. Statistical analysis of the calculated energies for the various configurations is used to elucidate the relative thermodynamic stability of intermixed and abrupt configurations. We find that on both experimental and theoretical fronts, the tendency toward intermixing is very strong. We have also measured and calculated key electronic properties such as the presence of electric fields and the value of the valence band discontinuity at the interface. We find no measurable electric field in either the LaAlO3 or SrTiO3, and that the valence band offset is near zero, partitioning the band discontinuity almost entirely to the conduction band edge. Moreover, we find that it is not possible to account for these electronic properties theoretically without including extensive intermixing in our physical model of the interface. The atomic configurations which give the greatest electrostatic stability are those that eliminate the interface dipole by intermixing, calling into question the conventional explanation for conductivity at this interface - electronic reconstruction. Rather, evidence is presented for La indiffusion and doping of the SrTiO3 below the interface as being the cause of the observed conductivity

Metallic and Insulating Oxide Interfaces Controlled by Electronic Correlations

The formation of two-dimensional electron gases (2DEGs) at complex oxide interfaces is directly influenced by the oxide electronic properties. We investigated how local electron correlations control the 2DEG by inserting a single atomic layer of a rare-earth oxide (RO) [(R is lanthanum (La), praseodymium (Pr), neodymium (Nd), samarium (Sm), or yttrium (Y)] into an epitaxial strontium titanate oxide (SrTiO3) matrix using pulsed-laser deposition with atomic layer control. We find that structures with La, Pr, and Nd ions result in conducting 2DEGs at the inserted layer, whereas the structures with Sm or Y ions are insulating. Our local spectroscopic and theoretical results indicate that the interfacial conductivity is dependent on electronic correlations that decay spatially into the SrTiO3 matrix. Such correlation effects can lead to new functionalities in designed heterostructures