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

Effects of automotive interior lighting on driver vision

There has been growing interest in vehicle interior lighting for both functional and esthetic purposes. Although a large body of research has developed over many years on nighttime driver vision and vehicle exterior lighting, there has traditionally been little research attention to interior lighting. This report includes a brief review of some of the research that has been done, and presents the results of a nighttime field study that was performed to contribute to the understanding of how vehicle interior lighting affects some basic aspects of driver vision. Participants in the study were asked to perform two tasks while seated in a stationary experimental car on a closed test road at night: (1) detecting pedestrians on the road ahead, and (2) rating the subjective brightness of a reflected veiling light on the windshield. The veiling light was varied in both luminance and color. The results indicated that pedestrian detection was closely related to photopic photometric measures, suggesting the pedestrian task was influenced primarily by cone photoreceptors, while the rating of subjective brightness appeared to show an influence of rod photoreceptors. These results have implications for how the photometry of vehicle interior lighting should be performed in order to give the best correlation with driver visual performance. Future research should further quantify the effects observed here and investigate changes in retinal adaptation associated with automotive interior lighting.University of Michigan Industry Affiliation Program for Human Factors in Transportation Safetyhttp://deepblue.lib.umich.edu/bitstream/2027.42/58724/1/99834.pd

Assessment of a Driver Interface for Lateral Drift and Curve Speed Warning Systems: Mixed Results for Auditory and Haptic Warnings

Lateral Drift Warning (LDW) and Curve Speed Warning (CSW)systems were developed to address two main critical events in run-off-roadcrashes, which are road edge departure and excessive speed. The LDW systemused a two-stage alert system, with the first stage activating when the driverdeparted a lane with a dashed boundary and the imminent, or second stage, whendeparting a lane with a solid boundary. The CSW also employed a two-stage alert,with the level based on the degree of over-speed for the upcoming curve. Thehaptic modality, in the form of seat vibration, was chosen as the first levelwarning for both systems, and auditory was chosen as the second or most urgentlevel. The two systems were installed in a fleet of instrumented vehicles andloaned to 78 randomly selected licensed drivers for approximately 4 weeks.Debriefing questions detailing the driver’s experience with the system wereadministered and analyzed in a two by two design of modality by system. Afterexamination of both the statistical results and the open-ended comments, thequestion of which modality is most appropriate is still uncertain. Each modalityhad positive aspects. Haptic does not alert the entire car and participants alsoconsidered it less distracting. Auditory provided better recognition betweenwarnings and participants were better able to understand the meaning and therequired response for each warning

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

Tunability of the dielectric response of epitaxially strained SrTiO3 from first principles

The effect of in-plane strain on the nonlinear dielectric properties of SrTiO3 epitaxial thin films is calculated using density-functional theory within the local-density approximation. Motivated by recent experiments, the structure, zone-center phonons, and dielectric properties with and without an external electric field are evaluated for several misfit strains within +-3% of the calculated cubic lattice parameter. In these calculations, the in-plane lattice parameters are fixed, and all remaining structural parameters are permitted to relax. The presence of an external bias is treated approximately by applying a force to each ion proportional to the electric field. After obtaining zero-field ground state structures for various strains, the zone-center phonon frequencies and Born effective charges are computed, yielding the zero-field dielectric response. The dielectric response at finite electric field bias is obtained by computing the field dependence of the structure and polarization using an approximate technique. The results are compared with recent experiments and a previous phenomenological theory. The tunability is found to be strongly dependent on the in-plane lattice parameter, showing markedly different behavior for tensile and compressive strains. Our results are expected to be of use for isolating the role of strain in the tunability of real ultrathin epitaxial films.Comment: 11 pages, with postscript figures embedded. Uses REVTEX and epsf macros. Also available at http://www.physics.rutgers.edu/~dhv/preprints/ant_srti/index.htm

Evaluation of a novel approach for the measurement of RNA quality

<p>Abstract</p> <p>Background</p> <p>Microarray data interpretation can be affected by sample RNA integrity. The ScreenTape Degradation Value (SDV) is a novel RNA integrity metric specific to the ScreenTape^®platform (Lab901). To characterise the performance of the ScreenTape^®platform for RNA analysis and determine the robustness of the SDV metric, a panel of intentionally degraded RNA samples was prepared. These samples were used to evaluate the ScreenTape^®platform against an alternative approach for measuring RNA integrity (Agilent Bioanalyzer RIN value). The samples were also subjected to microarray analysis and the resulting data correlated to the RNA integrity metrics.</p> <p>Findings</p> <p>Measurement of SDV for a panel of intentionally degraded RNA samples ranged from 0 for intact RNA to 37 for degraded RNA, with corresponding RIN values ranging from 10 to 4 for the same set of samples. SDV and RIN scales both demonstrated comparable discrimination between differently treated samples (RIN 10 to 7, SDV 0 to 15), with the SDV exhibiting better discrimination at higher degradation levels. Increasing SDV values correlated with a decrease in microarray sample labelling efficiency and an increase in numbers of differentially expressed genes.</p> <p>Conclusions</p> <p>The ScreenTape^®platform is comparable to the Bioanalyzer platform in terms of reproducibility and discrimination between different levels of RNA degradation. The robust nature of the SDV metric qualifies it as an alternative metric for RNA sample quality control, and a useful predictor of downstream microarray performance.</p

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

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

Structural phase transitions in epitaxial perovskite films

Three different film systems have been systematically investigated to understand the effects of strain and substrate constraint on the phase transitions of perovskite films. In SrTiO$_3$ films, the phase transition temperature T$_C$ was determined by monitoring the superlattice peaks associated with rotations of TiO$_6$ octahedra. It is found that T$_C$ depends on both SrTiO$_3$ film thickness and SrRuO$_3$ buffer layer thickness. However, lattice parameter measurements showed no sign of the phase transitions, indicating that the tetragonality of the SrTiO$_3$ unit cells was no longer a good order parameter. This signals a change in the nature of this phase transition, the internal degree of freedom is decoupled from the external degree of freedom. The phase transitions occur even without lattice relaxation through domain formation. In NdNiO$_3$ thin films, it is found that the in-plane lattice parameters were clamped by the substrate, while out-of-plane lattice constant varied to accommodate the volume change across the phase transition. This shows that substrate constraint is an important parameter for epitaxial film systems, and is responsible for the suppression of external structural change in SrTiO$_3$ and NdNiO$_3$ films. However, in SrRuO$_3$ films we observed domain formation at elevated temperature through x-ray reciprocal space mapping. This indicated that internal strain energy within films also played an important role, and may dominate in some film systems. The final strain states within epitaxial films were the result of competition between multiple mechanisms and may not be described by a single parameter.Comment: REVTeX4, 14 figure