592 research outputs found
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
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
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
ferroelectric thin film deposited on an substrate.
High frequency () 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
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
Nanoscale piezoelectric response across a single antiparallel ferroelectric domain wall
Surprising asymmetry in the local electromechanical response across a single
antiparallel ferroelectric domain wall is reported. Piezoelectric force
microscopy is used to investigate both the in-plane and out-of- plane
electromechanical signals around domain walls in congruent and
near-stoichiometric lithium niobate. The observed asymmetry is shown to have a
strong correlation to crystal stoichiometry, suggesting defect-domain wall
interactions. A defect-dipole model is proposed. Finite element method is used
to simulate the electromechanical processes at the wall and reconstruct the
images. For the near-stoichiometric composition, good agreement is found in
both form and magnitude. Some discrepancy remains between the experimental and
modeling widths of the imaged effects across a wall. This is analyzed from the
perspective of possible electrostatic contributions to the imaging process, as
well as local changes in the material properties in the vicinity of the wall
Ab-initio design of perovskite alloys with predetermined properties: The case of Pb(Sc_{0.5} Nb_{0.5})O_{3}
A first-principles derived approach is combined with the inverse Monte Carlo
technique to determine the atomic orderings leading to prefixed properties in
Pb(Sc_{0.5}Nb_{0.5})O_{3} perovskite alloy. We find that some arrangements
between Sc and Nb atoms result in drastic changes with respect to the
disordered material, including ground states of new symmetries, large
enhancement of electromechanical responses, and considerable shift of the Curie
temperature. We discuss the microscopic mechanisms responsible for these
unusual effects.Comment: 5 pages with 2 postscript figures embedde
Molecular evidence that insecticide resistance in peach-potato aphids (Myzus persicae Sulz.) results from amplification of an esterase gene
Theory of structural response to macroscopic electric fields in ferroelectric systems
We have developed and implemented a formalism for computing the structural
response of a periodic insulating system to a homogeneous static electric field
within density-functional perturbation theory (DFPT). We consider the
thermodynamic potentials E(R,eta,e) and F(R,eta,e) whose minimization with
respect to the internal structural parameters R and unit cell strain eta yields
the equilibrium structure at fixed electric field e and polarization P,
respectively. First-order expansion of E(R,eta,e) in e leads to a useful
approximation in which R(P) and eta(P) can be obtained by simply minimizing the
zero-field internal energy with respect to structural coordinates subject to
the constraint of a fixed spontaneous polarization P. To facilitate this
minimization, we formulate a modified DFPT scheme such that the computed
derivatives of the polarization are consistent with the discretized form of the
Berry-phase expression. We then describe the application of this approach to
several problems associated with bulk and short-period superlattice structures
of ferroelectric materials such as BaTiO3 and PbTiO3. These include the effects
of compositionally broken inversion symmetry, the equilibrium structure for
high values of polarization, field-induced structural phase transitions, and
the lattice contributions to the linear and the non-linear dielectric
constants.Comment: 19 pages, with 15 postscript figures embedded. Uses REVTEX4 and epsf
macros. Also available at
http://www.physics.rutgers.edu/~dhv/preprints/sai_pol/index.htm
The polarizability model for ferroelectricity in perovskite oxides
This article reviews the polarizability model and its applications to
ferroelectric perovskite oxides. The motivation for the introduction of the
model is discussed and nonlinear oxygen ion polarizability effects and their
lattice dynamical implementation outlined. While a large part of this work is
dedicated to results obtained within the self-consistent-phonon approximation
(SPA), also nonlinear solutions of the model are handled which are of interest
to the physics of relaxor ferroelectrics, domain wall motions, incommensurate
phase transitions. The main emphasis is to compare the results of the model
with experimental data and to predict novel phenomena.Comment: 55 pages, 35 figure
Cloning and analysis of the esterase genes conferring insecticide resistance in the peach-potato aphid, Myzus persicae (Sulzer)
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