First-principles predictions of low-energy phases of multiferroic BiFeO3

We used first-principles methods to perform a systematic search for potentially-stable phases of multiferroic BiFeO3. We considered a simulation cell compatible with the atomic distortions that are most common among perovskite oxides, and found a large number of local minima of the energy within 100 meV/f.u. of the ferroelectric ground state. We discuss the variety of low-symmetry structures discovered, as well as the implications of these findings as regards current experimental (e.g., on thin films displaying {\em super-tetragonal} phases) and theoretical (on models for BiFeO3's structural phase transitions) work on this compound.Comment: 14 pages, 9 figures, accepted in PRB (contains small changes in the text with respect to the first version

A dynamic conductance model of fluorescent lamp for electronic ballast design simulation

A Spice-compatible dynamic conductance model of a fluorescent lamp for use in electronic ballast simulation is presented. The time-dependent conductance of the fluorescent lamp is derived from a plasma ionization balance equation that uses simplified descriptions of the physical processes within the lamp as its basis. The model has been designed to enable user-defined lamp radius, length, buffer gas pressure and cold-spot temperature as input parameters thus representing a valuable tool for ballast simulations. Simulation results are compared to experimental measurements and satisfactory agreement is achieved

A First-Principles Study of the Electronic Reconstructions of LaAlO3/SrTiO3 Heterointerfaces and Their Variants

We present a first-principles study of the electronic structures and properties of ideal (atomically sharp) LaAlO3/SrTiO3 (001) heterointerfaces and their variants such as a new class of quantum well systems. We demonstrate the insulating-to-metallic transition as a function of the LaAlO3 film thickness in these systems. After the phase transition, we find that conduction electrons are bound to the n-type interface while holes diffuse away from the p-type interface, and we explain this asymmetry in terms of a large hopping matrix element that is unique to the n-type interface. We build a tight-binding model based on these hopping matrix elements to illustrate how the conduction electron gas is bound to the n-type interface. Based on the `polar catastrophe' mechanism, we propose a new class of quantum wells at which we can manually control the spatial extent of the conduction electron gas. In addition, we develop a continuous model to unify the LaAlO3/SrTiO3 interfaces and quantum wells and predict the thickness dependence of sheet carrier densities of these systems. Finally, we study the external field effect on both LaAlO3/SrTiO3 interfaces and quantum well systems. Our systematic study of the electronic reconstruction of LaAlO3/SrTiO3 interfaces may serve as a guide to engineering transition metal oxide heterointerfaces.Comment: 50 pages, 18 figures and 4 table

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

Integrated pest management portfolios in UK arable farming: results of a farmer survey.

Farmers are faced with a wide range of pest management (PM) options that can be adopted in isolation or alongside complementary or substitute strategies. This paper presents the results of a survey of UK cereal producers, focusing on the character and diversity of PM strategies currently used by, or available to, farmers. In addition, the survey asked various questions pertaining to agricultural policy participation, attitude towards environmental issues, sources of PM advice and information and the important characteristics of PM technologies. The results indicate that many farmers do make use of a suite of PM techniques, and that their choice of integrated PM (IPM) portfolio appears to be jointly dictated by farm characteristics and government policy. Results also indicate that portfolio choice does affect the number of subsequent insecticide applications per crop. These results help to identify the type of IPM portfolios considered to be adoptable by farmers and highlight the importance of substitution in IPM portfolios. As such, these results will help to direct R&D effort towards the realisation of more sustainable PM approaches and aid the identification of potential portfolio adopters. These findings highlight the opportunity that a revised agri-environmental policy design could generate in terms of enhancing coherent IPM portfolio adoption

Phenomenological theory of phase transitions in highly piezoelectric perovskites

Recently discovered fine structure of the morphotropic phase boundaries in highly piezoelectric mixture compounds PZT, PMN-PT, and PZN-PT demonstrates the importance of highly non-linear interactions in these systems. We show that an adequate Landau-type description of the ferroelectric phase transitions in these compounds is achieved by the use of a twelfth-order expansion of the Landau potential in terms of the phenomenological order parameter. Group-theoretical and catastrophe-theory methods are used in constructing the appropriate Landau potential. A complete phase diagram is calculated in phenomenological parameter space. The theory describes both PZT and PZN-PT types of phase diagrams, including the newly found monoclinic and orthorhombic phases. Anomalously large piezoelectric coefficients are predicted in the vicinity of the phase transition lines.Comment: RevTex4, 8 pages, 2 figures. Dramatically changed after referees' Comments, to appear in Phys. Rev. B, 1 April 200

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

Occurrence of target-site resistance to neonicotinoids in the aphid Myzus persicae in Tunisia, and its status on different host plants

This is the peer reviewed version of the following article: Kamel Charaabi, Sonia Boukhris-bouhachem, Mohamed Makni, and Ian Denholm, ‘Occurrence of target‐site resistance to neonicotinoids in the aphid Myzus persicae in Tunisia, and its status on different host plants’, Pest Management Science, Vol. 74(6): 1297-1301, June 2018, which has been published in final form athttps://doi.org/10.1002/ps.4833 Under embargo until 19 December 2018. This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Self-Archiving.BACKGROUND: The R81T mutation conferring target-site resistance to neonicotinoid insecticides in Myzus persicae was first detected in France and has since spread across much of southern Europe. In response to recent claims of control failure with neonicotinoids in Tunisia, we have used a molecular assay to investigate the presence and distribution of this target-site mutation in samples collected from six locations and six crops attacked by M. persicae. RESULTS: The resistance allele containing R81T was present at substantial frequencies (32–55%) in aphids collected between 2014 and 2016 from northern Tunisia but was much rarer further south. It occurred in aphids collected from the aphid's primary host (peach) and four secondary crop hosts (potato, pepper, tomato and melon). Its absence in aphids from tobacco highlights complexities in the systematics of M. persicae that require further investigation. CONCLUSION: This first report of R81T from North Africa reflects a continuing expansion of its range around the Mediterranean Basin, although it remains unrecorded elsewhere in the world. Loss of efficacy of neonicotinoids presents a serious threat to the sustainability of aphid control.Peer reviewe

High frequency polarization switching of a thin ferroelectric film

We consider both experimentally and analytically the transient oscillatory process that arises when a rapid change in voltage is applied to a $Ba_xSr_{1-x}TiO_3$ ferroelectric thin film deposited on an $Mg0$ substrate. High frequency ($\approx 10^{8} rad/s$) polarization oscillations are observed in the ferroelectric sample. These can be understood using a simple field-polarization model. In particular we obtain analytic expressions for the oscillation frequency and the decay time of the polarization fluctuation in terms of the material parameters. These estimations agree well with the experimental results

Fluctuations, Higher Order Anharmonicities, and Landau Expansion for Barium Titanate

Correct phenomenological description of ferroelectric phase transitions in barium titanate requires accounting for eighth-order terms in the free energy expansion, in addition to the conventional sixth-order contributions. Another unusual feature of BaTiO_3 crystal is that the coefficients B_1 and B_2 of the terms P_x^4 and P_x^2*P_y^2 in the Landau expansion depend on the temperature. It is shown that the temperature dependence of B_1 and B_2 may be caused by thermal fluctuations of the polarization, provided the fourth-order anharmonicity is anomalously small, i. e. the nonlinearity of P^4 type and higher-order ones play comparable roles. Non-singular (non-critical) fluctuation contributions to B_1 and B_2 are calculated in the first approximation in sixth-order and eighth-order anharmonic constants. Both contributions increase with the temperature, which is in agreement with available experimental data. Moreover, the theory makes it possible to estimate, without any additional assumptions, the ratio of fluctuation (temperature dependent) contributions to coefficients B_1 and B_2. Theoretical value of B_1/B_2 appears to be close to that given by experiments.Comment: 5 pages, 1 figur