WorldWideScience

Sample records for ferroelectric domain structure

  1. Effect of domains configuration on crystal structure in ferroelectric ...

    Indian Academy of Sciences (India)

    2017-09-09

    Sep 9, 2017 ... It is well known that domains and crystal structure control the physical properties of ferroelectrics. ... The as-prepared ceramics were crushed to fine pow- ders. ..... [1] Gao J, Xue D, Wang Y, Wang D, Zhang L, Wu H et al 2011.

  2. Theoretical Methods of Domain Structures in Ultrathin Ferroelectric Films: A Review

    Directory of Open Access Journals (Sweden)

    Jianyi Liu

    2014-09-01

    Full Text Available This review covers methods and recent developments of the theoretical study of domain structures in ultrathin ferroelectric films. The review begins with an introduction to some basic concepts and theories (e.g., polarization and its modern theory, ferroelectric phase transition, domain formation, and finite size effects, etc. that are relevant to the study of domain structures in ultrathin ferroelectric films. Basic techniques and recent progress of a variety of important approaches for domain structure simulation, including first-principles calculation, molecular dynamics, Monte Carlo simulation, effective Hamiltonian approach and phase field modeling, as well as multiscale simulation are then elaborated. For each approach, its important features and relative merits over other approaches for modeling domain structures in ultrathin ferroelectric films are discussed. Finally, we review recent theoretical studies on some important issues of domain structures in ultrathin ferroelectric films, with an emphasis on the effects of interfacial electrostatics, boundary conditions and external loads.

  3. Ferroelectric and ferroelastic domain structures in piezoelectric ceramics

    International Nuclear Information System (INIS)

    Bursill, L.A.; Julin Peng.

    1990-01-01

    A discussion of the results of conventional and high-resolution high-voltage electron microscopic studies of two ferroelectrics, barium sodium niobate and lead zirconium titanate is presented. It is shown that a rich variety of information such as ferroelectric and/or ferroelastic domains discommensurations versus antiphase boundaries, extended versus localized chemical defects and multiphase versus grain boundaries, become accessible in both single crystal and polycrystalline piezoelectrics, when a combination of high-resolution and conventional electron optical techniques is used. 15 refs., 8 figs

  4. Monte Carlo Simulation of Ferroelectric Domain Structure and Applied Field Response in Two Dimensions

    Energy Technology Data Exchange (ETDEWEB)

    Potter, Jr., B.G.; Tikare, V.; Tuttle, B.A.

    1999-06-30

    A 2-D, lattice-Monte Carlo approach was developed to simulate ferroelectric domain structure. The model currently utilizes a Hamiltonian for the total energy based only upon electrostatic terms involving dipole-dipole interactions, local polarization gradients and the influence of applied electric fields. The impact of boundary conditions on the domain configurations obtained was also examined. In general, the model exhibits domain structure characteristics consistent with those observed in a tetragonally distorted ferroelectric. The model was also extended to enable the simulation of ferroelectric hysteresis behavior. Simulated hysteresis loops were found to be very similar in appearance to those observed experimentally in actual materials. This qualitative agreement between the simulated hysteresis loop characteristics and real ferroelectric behavior was also confirmed in simulations run over a range of simulation temperatures and applied field frequencies.

  5. Radiation-damage-assisted ferroelectric domain structuring in magnesium-doped lithium niobate

    Science.gov (United States)

    Jentjens, L.; Peithmann, K.; Maier, K.; Steigerwald, H.; Jungk, T.

    2009-06-01

    Irradiation of 5% magnesium-doped lithium niobate crystals (LiNbO3:Mg) with high-energy, low-mass 3He ions, which are transmitted through the crystal, changes the domain reversal properties of the material. This enables easier domain engineering compared to non-irradiated material and assists the formation of small-sized periodically poled domains in LiNbO3:Mg. Periodic domain structures exhibiting a width of ≈520 nm are obtained in radiation-damaged sections of the crystals. The ferroelectric poling behavior between irradiated and non-treated material is compared.

  6. Ferroelectric Negative Capacitance Domain Dynamics

    OpenAIRE

    Hoffmann, Michael; Khan, Asif Islam; Serrao, Claudy; Lu, Zhongyuan; Salahuddin, Sayeef; Pešić, Milan; Slesazeck, Stefan; Schroeder, Uwe; Mikolajick, Thomas

    2017-01-01

    Transient negative capacitance effects in epitaxial ferroelectric Pb(Zr$_{0.2}$Ti$_{0.8}$)O$_3$ capacitors are investigated with a focus on the dynamical switching behavior governed by domain nucleation and growth. Voltage pulses are applied to a series connection of the ferroelectric capacitor and a resistor to directly measure the ferroelectric negative capacitance during switching. A time-dependent Ginzburg-Landau approach is used to investigate the underlying domain dynamics. The transien...

  7. Tip-induced domain structures and polarization switching in ferroelectric amino acid glycine

    Energy Technology Data Exchange (ETDEWEB)

    Seyedhosseini, E., E-mail: Seyedhosseini@ua.pt; Ivanov, M. [CICECO-Aveiro Institute of Materials and Department of Physics, University of Aveiro, 3810-193 Aveiro (Portugal); Bdikin, I. [TEMA and Department of Mechanical Engineering, University of Aveiro, 3810-193 Aveiro (Portugal); Vasileva, D. [Institute of Natural Sciences, Ural Federal University, 620000 Ekaterinburg (Russian Federation); Kudryavtsev, A. [Moscow State Institute of Radioengineering, Electronics and Automation, 119454 Moscow (Russian Federation); Rodriguez, B. J. [Conway Institute of Biomolecular and Biomedical Research and School of Physics, University College Dublin, Dublin (Ireland); Kholkin, A. L. [CICECO-Aveiro Institute of Materials and Department of Physics, University of Aveiro, 3810-193 Aveiro (Portugal); Institute of Natural Sciences, Ural Federal University, 620000 Ekaterinburg (Russian Federation)

    2015-08-21

    Bioorganic ferroelectrics and piezoelectrics are becoming increasingly important in view of their intrinsic compatibility with biological environment and biofunctionality combined with strong piezoelectric effect and a switchable polarization at room temperature. Here, we study tip-induced domain structures and polarization switching in the smallest amino acid β-glycine, representing a broad class of non-centrosymmetric amino acids. We show that β-glycine is indeed a room-temperature ferroelectric and polarization can be switched by applying a bias to non-polar cuts via a conducting tip of atomic force microscope (AFM). Dynamics of these in-plane domains is studied as a function of an applied voltage and pulse duration. The domain shape is dictated by polarization screening at the domain boundaries and mediated by growth defects. Thermodynamic theory is applied to explain the domain propagation induced by the AFM tip. Our findings suggest that the properties of β-glycine are controlled by the charged domain walls which in turn can be manipulated by an external bias.

  8. Nanoscopic studies of domain structure dynamics in ferroelectric La:HfO2 capacitors

    Science.gov (United States)

    Buragohain, P.; Richter, C.; Schenk, T.; Lu, H.; Mikolajick, T.; Schroeder, U.; Gruverman, A.

    2018-05-01

    Visualization of domain structure evolution under an electrical bias has been carried out in ferroelectric La:HfO2 capacitors by a combination of Piezoresponse Force Microscopy (PFM) and pulse switching techniques to study the nanoscopic mechanism of polarization reversal and the wake-up process. It has been directly shown that the main mechanism behind the transformation of the polarization hysteretic behavior and an increase in the remanent polarization value upon the alternating current cycling is electrically induced domain de-pinning. PFM imaging and local spectroscopy revealed asymmetric switching in the La:HfO2 capacitors due to a significant imprint likely caused by the different boundary conditions at the top and bottom interfaces. Domain switching kinetics can be well-described by the nucleation limited switching model characterized by a broad distribution of the local switching times. It has been found that the domain velocity varies significantly throughout the switching process indicating strong interaction with structural defects.

  9. Ferroelectric domain continuity over grain boundaries

    DEFF Research Database (Denmark)

    Mantri, Sukriti; Oddershede, Jette; Damjanovic, Dragan

    2017-01-01

    Formation and mobility of domain walls in ferroelectric materials is responsible for many of their electrical and mechanical properties. Domain wall continuity across grain boundaries has been observed since the 1950's and is speculated to affect the grain boundary-domain interactions, thereby...... impacting macroscopic ferroelectric properties in polycrystalline systems. However detailed studies of such correlated domain structures across grain boundaries are limited. In this work, we have developed the mathematical requirements for domain wall plane matching at grain boundaries of any given...... orientation. We have also incorporated the effect of grain boundary ferroelectric polarization charge created when any two domains meet at the grain boundary plane. The probability of domain wall continuity for three specific grain misorientations is studied. Use of this knowledge to optimize processing...

  10. Ferroelectric negative capacitance domain dynamics

    Science.gov (United States)

    Hoffmann, Michael; Khan, Asif Islam; Serrao, Claudy; Lu, Zhongyuan; Salahuddin, Sayeef; Pešić, Milan; Slesazeck, Stefan; Schroeder, Uwe; Mikolajick, Thomas

    2018-05-01

    Transient negative capacitance effects in epitaxial ferroelectric Pb(Zr0.2Ti0.8)O3 capacitors are investigated with a focus on the dynamical switching behavior governed by domain nucleation and growth. Voltage pulses are applied to a series connection of the ferroelectric capacitor and a resistor to directly measure the ferroelectric negative capacitance during switching. A time-dependent Ginzburg-Landau approach is used to investigate the underlying domain dynamics. The transient negative capacitance is shown to originate from reverse domain nucleation and unrestricted domain growth. However, with the onset of domain coalescence, the capacitance becomes positive again. The persistence of the negative capacitance state is therefore limited by the speed of domain wall motion. By changing the applied electric field, capacitor area or external resistance, this domain wall velocity can be varied predictably over several orders of magnitude. Additionally, detailed insights into the intrinsic material properties of the ferroelectric are obtainable through these measurements. A new method for reliable extraction of the average negative capacitance of the ferroelectric is presented. Furthermore, a simple analytical model is developed, which accurately describes the negative capacitance transient time as a function of the material properties and the experimental boundary conditions.

  11. Structural matching of ferroelectric domains and associated distortion in potassium titanyl phosphate crystals

    CERN Document Server

    Pernot-Rejmankova, P; Cloetens, P; Lyford, T; Baruchel, J

    2003-01-01

    The surface deformation and atomic-level distortions associated with crystal structural matching at ferroelectric inversion domain walls are investigated in periodically poled potassium titanyl phosphate (KTP) crystals. A deformation, of the order of 10 sup - sup 8 m in scale and having the periodicity of the domains, is observed at the surfaces by optical interferometry. It is discussed in terms of the piezoelectric effect. The matching of the crystal structures at the domain walls is studied by combining the hard x-ray Fresnel phase-imaging technique with Bragg diffraction imaging methods ('Bragg-Fresnel imaging') and using synchrotron radiation. Quantitative analysis of the contrast of the Bragg-Fresnel images recorded as a function of the propagation distance is demonstrated to allow the determination of how the domains are matched at the atomic (unit cell) level, even though the spatial resolution of the images is on the scale of micrometres. The atom P(1) is determined as the linking atom for connecting...

  12. Surface topography and crystal and domain structures of films of ferroelectric copolymer of vinylidene difluoride and trifluoroethylene

    Energy Technology Data Exchange (ETDEWEB)

    Kochervinskii, V. V., E-mail: kochval@mail.ru [Karpov Institute of Physical Chemistry, Branch (Russian Federation); Kiselev, D. A.; Malinkovich, M. D. [National University of Science and Technology MISiS (Russian Federation); Korlyukov, A. A.; Lokshin, B. V. [Russian Academy of Sciences, Nesmeyanov Institute of Organoelement Compounds (Russian Federation); Volkov, V. V. [Russian Academy of Sciences, Shubnikov Institute of Crystallography, Federal Scientific Research Centre “Crystallography and Photonics” (Russian Federation); Kirakosyan, G. A. [Russian Academy of Sciences, Kurnakov Institute of General and Inorganic Chemistry (Russian Federation); Pavlov, A. S. [Karpov Institute of Physical Chemistry, Branch (Russian Federation)

    2017-03-15

    The crystallization of a copolymer from a solution at room temperature is found to lead to the formation of a metastable structure, characterized by the coexistence of ferroelectric and paraelectric phases. The fraction of the latter decreases after annealing above the Curie point. Atomic force microscopy (AFM) has revealed a difference in the surface topographies between the films contacting with air and the films contacting with a glass substrate. The microstructure of copolymer chains has been investigated by {sup 19}F NMR spectroscopy. The chain fragments with “defect” attached monomeric units are ejected to the surface. The character of the ferroelectric domains formed during crystallization and their size distribution are analyzed.

  13. Surface-screening mechanisms in ferroelectric thin films and their effect on polarization dynamics and domain structures

    Science.gov (United States)

    Kalinin, Sergei V.; Kim, Yunseok; Fong, Dillon D.; Morozovska, Anna N.

    2018-03-01

    For over 70 years, ferroelectric materials have been one of the central research topics for condensed matter physics and material science, an interest driven both by fundamental science and applications. However, ferroelectric surfaces, the key component of ferroelectric films and nanostructures, still present a significant theoretical and even conceptual challenge. Indeed, stability of ferroelectric phase per se necessitates screening of polarization charge. At surfaces, this can lead to coupling between ferroelectric and semiconducting properties of material, or with surface (electro) chemistry, going well beyond classical models applicable for ferroelectric interfaces. In this review, we summarize recent studies of surface-screening phenomena in ferroelectrics. We provide a brief overview of the historical understanding of the physics of ferroelectric surfaces, and existing theoretical models that both introduce screening mechanisms and explore the relationship between screening and relevant aspects of ferroelectric functionalities starting from phase stability itself. Given that the majority of ferroelectrics exist in multiple-domain states, we focus on local studies of screening phenomena using scanning probe microscopy techniques. We discuss recent studies of static and dynamic phenomena on ferroelectric surfaces, as well as phenomena observed under lateral transport, light, chemical, and pressure stimuli. We also note that the need for ionic screening renders polarization switching a coupled physical–electrochemical process and discuss the non-trivial phenomena such as chaotic behavior during domain switching that stem from this. ).

  14. Surface-screening mechanisms in ferroelectric thin films and their effect on polarization dynamics and domain structures

    Energy Technology Data Exchange (ETDEWEB)

    Kalinin, Sergei V.; Kim, Yunseok; Fong, Dillon D.; Morozovska, Anna N.

    2018-01-25

    For over 70 years, ferroelectric materials have been one of the central research topics for condensed matter physics and material science, an interest driven both by fundamental science and applications. However, ferroelectric surfaces, the key component of ferroelectric films and nanostructures, still present a significant theoretical and even conceptual challenge. Indeed, stability of ferroelectric phase per se necessitates screening of polarization charge. At surfaces, this can lead to coupling between ferroelectric and semiconducting properties of material, or with surface (electro) chemistry, going well beyond classical models applicable for ferroelectric interfaces. In this review, we summarize recent studies of surface-screening phenomena in ferroelectrics. We provide a brief overview of the historical understanding of the physics of ferroelectric surfaces, and existing theoretical models that both introduce screening mechanisms and explore the relationship between screening and relevant aspects of ferroelectric functionalities starting from phase stability itself. Given that the majority of ferroelectrics exist in multiple-domain states, we focus on local studies of screening phenomena using scanning probe microscopy techniques. We discuss recent studies of static and dynamic phenomena on ferroelectric surfaces, as well as phenomena observed under lateral transport, light, chemical, and pressure stimuli. We also note that the need for ionic screening renders polarization switching a coupled physical-electrochemical process and discuss the non-trivial phenomena such as chaotic behavior during domain switching that stem from this.

  15. Light-Activated Gigahertz Ferroelectric Domain Dynamics

    Science.gov (United States)

    Akamatsu, Hirofumi; Yuan, Yakun; Stoica, Vladimir A.; Stone, Greg; Yang, Tiannan; Hong, Zijian; Lei, Shiming; Zhu, Yi; Haislmaier, Ryan C.; Freeland, John W.; Chen, Long-Qing; Wen, Haidan; Gopalan, Venkatraman

    2018-03-01

    Using time- and spatially resolved hard x-ray diffraction microscopy, the striking structural and electrical dynamics upon optical excitation of a single crystal of BaTiO3 are simultaneously captured on subnanoseconds and nanoscale within individual ferroelectric domains and across walls. A large emergent photoinduced electric field of up to 20 ×106 V /m is discovered in a surface layer of the crystal, which then drives polarization and lattice dynamics that are dramatically distinct in a surface layer versus bulk regions. A dynamical phase-field modeling method is developed that reveals the microscopic origin of these dynamics, leading to gigahertz polarization and elastic waves traveling in the crystal with sonic speeds and spatially varying frequencies. The advances in spatiotemporal imaging and dynamical modeling tools open up opportunities for disentangling ultrafast processes in complex mesoscale structures such as ferroelectric domains.

  16. Structure and switching of in-plane ferroelectric nano-domains in strained PbxSr1-xTiO3 thin films

    Energy Technology Data Exchange (ETDEWEB)

    Matzen, Sylivia [University of Groningen, The Netherlands; Nesterov, Okeksiy [ORNL; Rispens, Gregory [University of Groningen, The Netherlands; Heuver, J. A. [University of Groningen, The Netherlands; Bark, C [University of Wisconsin, Madison; Biegalski, Michael D [ORNL; Christen, Hans M [ORNL; Noheda, Beatriz [University of Groningen, The Netherlands

    2014-01-01

    Nanoscale ferroelectrics, the active elements of a variety of nanoelectronic devices, develop denser and richer domain structures than the bulk counterparts. With shrinking device sizes understanding and controlling domain formation in nanoferroelectrics is being intensely studied. Here we show that a precise control of the epitaxy and the strain allows stabilizing a hierarchical domain architecture in PbxSr1-xTiO3 thin films, showing periodic, purely in-plane polarized, ferroelectric nano-domains that can be switched by a scanning probe.

  17. Domain shape instabilities and dendrite domain growth in uniaxial ferroelectrics

    Science.gov (United States)

    Shur, Vladimir Ya.; Akhmatkhanov, Andrey R.

    2018-01-01

    The effects of domain wall shape instabilities and the formation of nanodomains in front of moving walls obtained in various uniaxial ferroelectrics are discussed. Special attention is paid to the formation of self-assembled nanoscale and dendrite domain structures under highly non-equilibrium switching conditions. All obtained results are considered in the framework of the unified kinetic approach to domain structure evolution based on the analogy with first-order phase transformation. This article is part of the theme issue `From atomistic interfaces to dendritic patterns'.

  18. A Review of Domain Modelling and Domain Imaging Techniques in Ferroelectric Crystals

    Directory of Open Access Journals (Sweden)

    John E. Huber

    2011-02-01

    Full Text Available The present paper reviews models of domain structure in ferroelectric crystals, thin films and bulk materials. Common crystal structures in ferroelectric materials are described and the theory of compatible domain patterns is introduced. Applications to multi-rank laminates are presented. Alternative models employing phase-field and related techniques are reviewed. The paper then presents methods of observing ferroelectric domain structure, including optical, polarized light, scanning electron microscopy, X-ray and neutron diffraction, atomic force microscopy and piezo-force microscopy. Use of more than one technique for unambiguous identification of the domain structure is also described.

  19. Structural Consequences of Ferroelectric Nanolithography

    Energy Technology Data Exchange (ETDEWEB)

    J Young Jo; P Chen; R Sichel; S Bake; R Smith; N Balke; S Kalinin; M Holt; J Maser; et al.

    2011-12-31

    Domains of remnant polarization can be written into ferroelectrics with nanoscale precision using scanning probe nanolithography techniques such as piezoresponse force microscopy (PFM). Understanding the structural effects accompanying this process has been challenging due to the lack of appropriate structural characterization tools. Synchrotron X-ray nanodiffraction provides images of the domain structure written by PFM into an epitaxial Pb(Zr,Ti)O{sub 3} thin film and simultaneously reveals structural effects arising from the writing process. A coherent scattering simulation including the superposition of the beams simultaneously diffracted by multiple mosaic blocks provides an excellent fit to the observed diffraction patterns. Domains in which the polarization is reversed from the as-grown state have a strain of up to 0.1% representing the piezoelectric response to unscreened surface charges. An additional X-ray microdiffraction study of the photon-energy dependence of the difference in diffracted intensity between opposite polarization states shows that this contrast has a crystallographic origin. The sign and magnitude of the intensity contrast between domains of opposite polarization are consistent with the polarization expected from PFM images and with the writing of domains through the entire thickness of the ferroelectric layer. The strain induced by writing provides a significant additional contribution to the increased free energy of the written domain state with respect to a uniformly polarized state.

  20. Elasticity Imaging of Ferroelectric Domain Structure in PZT by Ultrasonic Atomic Force Microscopy

    International Nuclear Information System (INIS)

    Tsuji, T.; Ogiso, H.; Fukuda, K.; Yamanaka, K.

    2004-01-01

    UAFM was applied to the observation of the domain structure in lead zirconate titanate (PZT). It imaged the change of elasticity due to grain and domain boundary (DB). For the quantitative evaluation of the contact stiffness, the lateral contact stiffness was taken into account. The stiffness of DB was 10% lower than that within the domain and the width of the DB was about 30 nm. The implication of this work is the understanding of the fatigue mechanism in a PZT memory and the high resolution imaging for a high-density memory

  1. Heterogeneous Ferroelectric Solid Solutions Phases and Domain States

    CERN Document Server

    Topolov, Vitaly

    2012-01-01

    The book deals with perovskite-type ferroelectric solid solutions for modern materials science and applications, solving problems of complicated heterophase/domain structures near the morphotropic phase boundary and applications to various systems with morphotropic phases. In this book domain state–interface diagrams are presented for the interpretation of heterophase states in perovskite-type ferroelectric solid solutions. It allows to describe the stress relief in the presence of polydomain phases, the behavior of unit-cell parameters of coexisting phases and the effect of external electric fields. The novelty of the book consists in (i) the first systematization of data about heterophase states and their evolution in ferroelectric solid solutions (ii) the general interpretation of heterophase and domain structures at changing temperature, composition or electric field (iii) the complete analysis of interconnection domain structures, unit-cell parameters changes, heterophase structures and stress relief.

  2. Ferroelectric domain structures in -oriented K0.15Na0.85NbO3 lead-free single crystal

    Directory of Open Access Journals (Sweden)

    Yan Chen

    2015-03-01

    Full Text Available In this work, ferroelectric domain structures of -oriented K0.15Na0.85NbO3 single crystal are characterized. Transmission electron microscopy (TEM observation revealed high-density of laminate domain structures in the crystal and the lattices of the neighboring domains are found to be twisted in a small angle. Superlattice diffraction spots of 1 2 { eeo } and 1 2 { ooe } in electron diffraction patterns are observed in the crystal, revealing the a+a+c− tilting of oxygen octahedral in the perovskite structure. The piezoresponse of domains and in-situ poling responses of K0.15Na0.85NbO3 crystal are observed by piezoresponse force microscopy (PFM, and the results assure its good ferroelectric properties.

  3. Interrelation between domain structures and polarization switching in hybrid improper ferroelectric Ca3(Mn,Ti)2O7

    Science.gov (United States)

    Gao, Bin; Huang, Fei-Ting; Wang, Yazhong; Kim, Jae-Wook; Wang, Lihai; Lim, Seong-Joon; Cheong, Sang-Wook

    2017-05-01

    Ca3Mn2O7 and Ca3Ti2O7 have been proposed as the prototypical hybrid improper ferroelectrics (HIFs), and a significant magnetoelectric (ME) coupling in magnetic Ca3Mn2O7 is, in fact, reported theoretically and experimentally. Although the switchability of polarization is confirmed in Ca3Ti2O7 and other non-magnetic HIFs, there is no report of switchable polarization in the isostructural Ca3Mn2O7. We constructed the phase diagram of Ca3Mn2-xTixO7 through our systematic study of a series of single crystalline Ca3Mn2-xTixO7 (x = 0, 0.1, 1, 1.5, and 2). Using transmission electron microscopy, we have unveiled the unique domain structure of Ca3Mn2O7: the high-density 90° stacking of a- and b-domains along the c-axis due to the phase transition through an intermediate Acca phase and the in-plane irregular wavy ferroelastic twin domains. The interrelation between domain structures and physical properties is unprecedented: the stacking along the c-axis prevents the switching of polarization and causes the irregular in-plane ferroelastic domain pattern. In addition, we have determined the magnetic phase diagram and found complex magnetism of Ca3Mn2O7 with isotropic canted moments. These results lead to negligible observable ME coupling in Ca3Mn2O7 and guide us to explore multiferroics with large ME coupling.

  4. Atomic resolution imaging of ferroelectric domains

    International Nuclear Information System (INIS)

    Bursill, L.A.

    1997-01-01

    Electron optical principles involved in obtaining atomic resolution images of ferroelectric domains are reviewed, including the methods available to obtain meaningful interpretation and analysis of the image detail in terms of the atomic structures. Recent work is concerned with establishing the relationship between the essentially static chemical nanodomains and the spatial and temporal fluctuations of the nanoscale polar domains present in the relaxor class of materials, including lead scandium tantalate (PST) and lead magnesium niobate (PMN). Correct interpretation of the images required use of Next Nearest Neighbour Ising model simulations for the chemical domain textures upon which we must superimpose the polar domain textures; an introduction to this work is presented. A thorough analysis of the atomic scale chemical inhomogeneities, based upon the HRTEM results, has lead to an improved formulation of the theory of the dielectric response of PMN and PST, which is capable to predict the observed temperature and frequency dependence. HRTEM may be combined with solid state and statistical physics principles to provide a deeper understanding of structure/property relationships. 15 refs., 6 figs

  5. Polarization reversal and ferroelectric domain structure observed in electroded cesium dihydrogen phosphate crystals using an X-ray anomalous dispersion effect

    International Nuclear Information System (INIS)

    Ozaki, Toru; Amau, Toshirou; Kawata, Hiroshi; Mizuno, Kaoru; Mori, Koichi.

    1997-01-01

    We have carried out an X-ray intensity measurement and X-ray topography on electroded b plates of ferroelectric cesium dihydrogen phosphate, CsH 2 PO 4 (CDP), using a synchrotron radiation with a wavelength of 2.482 A above the Cs L 3 -absorption edge. We have found that integrated intensities I(150) and I(1-bar5-bar0) show an anomalously large breakdown of Friedel's law, I(150)/I(1-bar5-bar0)=10.4 at 125 K, and display a ferroelectric hysteresis loop. The hysteresis loop determines that spontaneous polarization is antiparallel to the b axes set in both ferroelectric crystal structures related by inversions. The (150) diffraction topography shows that a single domain turns into a lamellar domain structure without fractal aspects after short-circuiting the b plate. The atomic displacement associated with polarization reversal is shown in a crystal structure model of 180deg domains observed in the X-ray topography. (author)

  6. Observation of domain patterns on a ferroelectric ceramic

    International Nuclear Information System (INIS)

    Ibrahim, R.C.; Zavaglia, C.A.C.

    1992-01-01

    In this work ferroelectric domain patterns are observed on a PZT-like ceramic material produced in Brazil. This material has tetragonal unit cell composing a perovskite type structure. The samples, after grinding and polishing, were chemically etched and observed on optical microscope and scanning electron microscope. (author)

  7. Molecular dynamics simulations of ferroelectric domain formation by oxygen vacancy

    Science.gov (United States)

    Zhu, Lin; You, Jeong Ho; Chen, Jinghong; Yeo, Changdong

    2018-05-01

    An oxygen vacancy, known to be detrimental to ferroelectric properties, has been investigated numerically for the potential uses to control ferroelectric domains in films using molecular dynamics simulations based on the first-principles effective Hamiltonian. As an electron donor, an oxygen vacancy generates inhomogeneous electrostatic and displacement fields which impose preferred polarization directions near the oxygen vacancy. When the oxygen vacancies are placed at the top and bottom interfaces, the out-of-plane polarizations are locally developed near the interfaces in the directions away from the interfaces. These polarizations from the interfaces are in opposite directions so that the overall out-of-plane polarization becomes significantly reduced. In the middle of the films, the in-plane domains are formed with containing 90° a 1/a 2 domain walls and the films are polarized along the [1 1 0] direction even when no electric field is applied. With oxygen vacancies placed at the top interface only, the films exhibit asymmetric hysteresis loops, confirming that the oxygen vacancies are one of the possible sources of ferroelectric imprint. It has been qualitatively demonstrated that the domain structures in the imprint films can be turned on and off by controlling an external field along the thickness direction. This study shows qualitatively that the oxygen vacancies can be utilized for tuning ferroelectric domain structures in films.

  8. Domain switching of fatigued ferroelectric thin films

    Science.gov (United States)

    Tak Lim, Yun; Yeog Son, Jong; Shin, Young-Han

    2014-05-01

    We investigate the domain wall speed of a ferroelectric PbZr0.48Ti0.52O3 (PZT) thin film using an atomic force microscope incorporated with a mercury-probe system to control the degree of electrical fatigue. The depolarization field in the PZT thin film decreases with increasing the degree of electrical fatigue. We find that the wide-range activation field previously reported in ferroelectric domains result from the change of the depolarization field caused by the electrical fatigue. Domain wall speed exhibits universal behavior to the effective electric field (defined by an applied electric field minus the depolarization field), regardless of the degree of the electrical fatigue.

  9. Domain switching of fatigued ferroelectric thin films

    International Nuclear Information System (INIS)

    Tak Lim, Yun; Yeog Son, Jong; Shin, Young-Han

    2014-01-01

    We investigate the domain wall speed of a ferroelectric PbZr 0.48 Ti 0.52 O 3 (PZT) thin film using an atomic force microscope incorporated with a mercury-probe system to control the degree of electrical fatigue. The depolarization field in the PZT thin film decreases with increasing the degree of electrical fatigue. We find that the wide-range activation field previously reported in ferroelectric domains result from the change of the depolarization field caused by the electrical fatigue. Domain wall speed exhibits universal behavior to the effective electric field (defined by an applied electric field minus the depolarization field), regardless of the degree of the electrical fatigue

  10. Resonant tunneling across a ferroelectric domain wall

    Science.gov (United States)

    Li, M.; Tao, L. L.; Velev, J. P.; Tsymbal, E. Y.

    2018-04-01

    Motivated by recent experimental observations, we explore electron transport properties of a ferroelectric tunnel junction (FTJ) with an embedded head-to-head ferroelectric domain wall, using first-principles density-functional theory calculations. We consider a FTJ with L a0.5S r0.5Mn O3 electrodes separated by a BaTi O3 barrier layer and show that an in-plane charged domain wall in the ferroelectric BaTi O3 can be induced by polar interfaces. The resulting V -shaped electrostatic potential profile across the BaTi O3 layer creates a quantum well and leads to the formation of a two-dimensional electron gas, which stabilizes the domain wall. The confined electronic states in the barrier are responsible for resonant tunneling as is evident from our quantum-transport calculations. We find that the resonant tunneling is an orbital selective process, which leads to sharp spikes in the momentum- and energy-resolved transmission spectra. Our results indicate that domain walls embedded in FTJs can be used to control the electron transport.

  11. Orientation control and domain structure analysis of {100}-oriented epitaxial ferroelectric orthorhombic HfO{sub 2}-based thin films

    Energy Technology Data Exchange (ETDEWEB)

    Katayama, Kiliha [Department of Innovative and Engineered Materials, Tokyo Institute of Technology, 4259 Nagatsuta, Midori-ku, Yokohama 226-8502 (Japan); Shimizu, Takao [Materials Research Center for Element Strategy, Tokyo Institute of Technology, 4259 Nagatsuta, Midori-ku, Yokohama 226-8503 (Japan); Sakata, Osami [Synchrotron X-ray Station at SPring-8, National Institute for Materials Science (NIMS), 1-1-1 Kouto, Sayo-cho, Sayo-gun, Hyogo 679-5148 (Japan); Shiraishi, Takahisa; Nakamura, Shogo; Kiguchi, Takanori; Akama, Akihiro; Konno, Toyohiko J. [Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577 (Japan); Uchida, Hiroshi [Department of Materials and Life Sciences, Sophia University, Chiyoda, Tokyo 102-8554 (Japan); Funakubo, Hiroshi, E-mail: funakubo.h.aa@m.titech.ac.jp [Department of Innovative and Engineered Materials, Tokyo Institute of Technology, 4259 Nagatsuta, Midori-ku, Yokohama 226-8502 (Japan); Materials Research Center for Element Strategy, Tokyo Institute of Technology, 4259 Nagatsuta, Midori-ku, Yokohama 226-8503 (Japan)

    2016-04-07

    Orientation control of {100}-oriented epitaxial orthorhombic 0.07YO{sub 1.5}-0.93HfO{sub 2} films grown by pulsed laser deposition was investigated. To achieve in-plane lattice matching, indium tin oxide (ITO) and yttria-stabilized zirconia (YSZ) were selected as underlying layers. We obtained (100)- and (001)/(010)-oriented films on ITO and YSZ, respectively. Ferroelastic domain formation was confirmed for both films by X-ray diffraction using the superlattice diffraction that appeared only for the orthorhombic symmetry. The formation of ferroelastic domains is believed to be induced by the tetragonal–orthorhombic phase transition upon cooling the films after deposition. The present results demonstrate that the orientation of HfO{sub 2}-based ferroelectric films can be controlled in the same manner as that of ferroelectric films composed of conventional perovskite-type material such as Pb(Zr, Ti)O{sub 3} and BiFeO{sub 3}.

  12. Nano and micro reoriented domains and their relation with the crystal structure in the new ferroelectric boracite Zn3B7O13Br

    International Nuclear Information System (INIS)

    Campa-Molina, J; Ulloa-Godinez, S; Barrera, A; Bucio, L; Mata, J

    2006-01-01

    A new zinc brome boracite Zn 3 B 7 O 13 Br has been grown by a chemical transport reaction in closed quartz ampoules at 920 K. The crystal structure was characterized by Rietveld refinement. Ferroelectric nano and micro reorientable domains were found in this material using polarizing optical microscopy (PLM), scanning electron microscopy (SEM) and transmission electron microscopy (TEM). Chemical analysis was performed with x-ray energy dispersive spectroscopy (EDX). In the crystal, a new structure transition at 586 K from orthorhombic (Pca 2 1 ) to cubic cell (F4-bar3c) has been found. This transition was corroborated by differential scanning calorimetry (DSC)

  13. Nano and micro reoriented domains and their relation with the crystal structure in the new ferroelectric boracite Zn3B7O13Br

    Science.gov (United States)

    Campa-Molina, J.; Ulloa-Godínez, S.; Barrera, A.; Bucio, L.; Mata, J.

    2006-05-01

    A new zinc brome boracite Zn3B7O13Br has been grown by a chemical transport reaction in closed quartz ampoules at 920 K. The crystal structure was characterized by Rietveld refinement. Ferroelectric nano and micro reorientable domains were found in this material using polarizing optical microscopy (PLM), scanning electron microscopy (SEM) and transmission electron microscopy (TEM). Chemical analysis was performed with x-ray energy dispersive spectroscopy (EDX). In the crystal, a new structure transition at 586 K from orthorhombic (Pca 21) to cubic cell (F\\overline 4 3c ) has been found. This transition was corroborated by differential scanning calorimetry (DSC).

  14. Visualization of ferroelectric domain structures in lithium niobate by means of confocal nonlinear microscopy; Visualisierung ferroelektrischer Domaenenstrukturen in Lithiumniobat mittels konfokaler nichtlinearer Mikroskopie

    Energy Technology Data Exchange (ETDEWEB)

    Berth, Gerhard

    2010-07-01

    In the field of integrated optics nonlinear-optical effects play a central role. A typical example for the commercial use of such phenomena is the frequency conversion. A deciding parameter is here the phase matching, which determines the quantity of the constructive interaction range of contributing optical fields. In view of a high efficiency of such processes the dispersion of a crystal must be balanced for the contributing frequencies. In nonlinear components on the base of optical waveguides the principle of the ''quasi-phase matching'' is applied, which uses the microdomain inversion. Phase jumps occuring at the domain boundaries compensate in the mean the different phase velocities. The application range of such periodical structures depends essentially on sharpness, homogeneity, depth extent, and period of the domain structure. The nonlinear confocal laser scanning microscopy makes a mapping of this transferred ferroelectric domain structure possible. Primary aim of this thesis is the characterization and mapping of the transferred ferroelectric domain structure in lithium niobate. A modularly kept confocal microscope makes here a nonlinear analysis in reflection and transmission geometry possible. In both geometries systematic studies as function of important process parameters were performed. It was shown that because of the larger nonlinear coherence length in the transmission modus the SHG ensues above all in forward direction. By depth-resolved studies at Z-cut PPLN structured between the surface region and the volume crystal a flippling of the SHG contrast could be observed. In samples with circular pole structure additionally in the crystal a transition to a hexagonal structure took place. In the Ti:PPLN strip waveguide a strong and specific increasement of the nonlinear signal of the domain walls was discovered. Here also the usual SHG surface contrast between dhe domains and the boundaries is inverted. Also differently processed

  15. Ferroelectric domain engineering by focused infrared femtosecond pulses

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Xin; Shvedov, Vladlen; Sheng, Yan, E-mail: yan.sheng@anu.edu.au [Laser Physics Centre, Research School of Physics and Engineering, Australian National University, Canberra, ACT 0200 (Australia); Karpinski, Pawel [Laser Physics Centre, Research School of Physics and Engineering, Australian National University, Canberra, ACT 0200 (Australia); Wroclaw University of Technology, Wybrzeze Wyspianskiego, Wroclaw (Poland); Koynov, Kaloian [Max-Planck Institute for Polymer Research, Ackermannweg 10, D-55128 Mainz (Germany); Wang, Bingxia; Trull, Jose; Cojocaru, Crina [Departament de Fisica i Enginyeria Nuclear, Universitat Politecnica de Catalunya, Rambla Sant Nebridi, 08222 Terrassa, Barcelona (Spain); Krolikowski, Wieslaw [Laser Physics Centre, Research School of Physics and Engineering, Australian National University, Canberra, ACT 0200 (Australia); Texas A& M University at Qatar, Doha (Qatar)

    2015-10-05

    We demonstrate infrared femtosecond laser-induced inversion of ferroelectric domains. This process can be realised solely by using tightly focused laser pulses without application of any electric field prior to, in conjunction with, or subsequent to the laser irradiation. As most ferroelectric crystals like LiNbO{sub 3}, LiTaO{sub 3}, and KTiOPO{sub 4} are transparent in the infrared, this optical poling method allows one to form ferroelectric domain patterns much deeper inside a ferroelectric crystal than by using ultraviolet light and hence can be used to fabricate practical devices. We also propose in situ diagnostics of the ferroelectric domain inversion process by monitoring the Čerenkov second harmonic signal, which is sensitive to the appearance of ferroelectric domain walls.

  16. Domain wall conductivity in semiconducting hexagonal ferroelectric TbMnO3 thin films

    International Nuclear Information System (INIS)

    Kim, D J; Gruverman, A; Connell, J G; Seo, S S A

    2016-01-01

    Although enhanced conductivity of ferroelectric domain boundaries has been found in BiFeO 3 and Pb(Zr,Ti)O 3 films as well as hexagonal rare-earth manganite single crystals, the mechanism of the domain wall conductivity is still under debate. Using conductive atomic force microscopy, we observe enhanced conductance at the electrically-neutral domain walls in semiconducting hexagonal ferroelectric TbMnO 3 thin films where the structure and polarization direction are strongly constrained along the c-axis. This result indicates that domain wall conductivity in ferroelectric rare-earth manganites is not limited to charged domain walls. We show that the observed conductivity in the TbMnO 3 films is governed by a single conduction mechanism, namely, the back-to-back Schottky diodes tuned by the segregation of defects. (paper)

  17. Ferroelectrics principles, structure and applications

    CERN Document Server

    Merchant, Serena

    2014-01-01

    Ferroelectric physics is a theory on ferroelectric phase transition for explaining various related phenomena, which is different from dielectric physics. Ferroelectric materials are important functional materials for various applications such as NVRAMs, high energy density capacitors, actuators, MEMs, sonar sensors, microphones and scanning electron microscopes (SEM). This book investigates the dielectric, ferroelectric and energy storage properties of barium zirconate-titanate/barium calcium-titanate (BZT-BCT) based ceramic for high energy density capacitors. It also compares the energy storage capabilities of ceramic powders with polymer-ceramic nanocomposites; and discusses dielectric properties of ferroelectricity in composition distributions.

  18. Structure-Function Relationships of Ferroelectric Polymers.

    Science.gov (United States)

    Pavlopoulou, Eleni; Maiz, Jon; Spampinato, Nicoletta; Maglione, Mario; Hadziioannou, Georges

    Poly(vinylidene fluoride), PVDF, and its copolymers with trifluoroethylene, P(VDF-co-TrFE) have been long appreciated for their excellent ferroelectric properties. Although they have been mainly studied in the 80s and 90s, understanding their performance is still lacking. Yet the increasing use of P(VDF-co-TrFE) thin films in organic electronic devices during the last ten years revives the need for apprehending the function of these materials. In this work we investigate the structure of P(VDF-co-TrFE) films and correlate it to their ferroelectric properties. Our results show that ferroelectric performance is solely driven by the fraction of polymer that has been crystallized in the ferroelectric phases of PVDF. The relations between remnant polarization, coercive field and dipole switching rate of P(VDF-co-TrFE) with the ferroelectric crystallinity are demonstrated. The French Research Agency (ANR), the Aquitaine Region, Arkema and STMicroelectronics are kindly acknowledged for financial support.

  19. Acoustic Imaging Frequency Dynamics of Ferroelectric Domains by Atomic Force Microscopy

    International Nuclear Information System (INIS)

    Kun-Yu, Zhao; Hua-Rong, Zeng; Hong-Zhang, Song; Sen-Xing, Hui; Guo-Rong, Li; Qing-Rui, Yin; Shimamura, Kiyoshi; Kannan, Chinna Venkadasamy; Villora, Encarnacion Antonia Garcia; Takekawa, Shunji; Kitamura, Kenji

    2008-01-01

    We report the acoustic imaging frequency dynamics of ferroelectric domains by low-frequency acoustic probe microscopy based on the commercial atomic force microscopy It is found that ferroelectric domain could be firstly visualized at lower frequency down to 0.5 kHz by AFM-based acoustic microscopy The frequency-dependent acoustic signal revealed a strong acoustic response in the frequency range from 7kHz to 10kHz, and reached maximum at 8.1kHz. The acoustic contrast mechanism can be ascribed to the different elastic response of ferroelectric microstructures to local elastic stress fields, which is induced by the acoustic wave transmitting in the sample when the piezoelectric transducer is vibrating and exciting acoustic wave under ac electric fields due to normal piezoelectric effects. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

  20. On the persistence of polar domains in ultrathin ferroelectric capacitors

    Czech Academy of Sciences Publication Activity Database

    Zubko, P.; Lu, H.; Bark, C.-W.; Martí, Xavier; Santiso, J.; Eom, C.-B.; Catalan, G.; Gruverman, A.

    2017-01-01

    Roč. 29, č. 28 (2017), s. 1-8, č. článku 284001. ISSN 1361-648X R&D Projects: GA ČR GB14-37427G Institutional support: RVO:68378271 Keywords : ultrathin barium titanate * tunnel junctions * ferroelectric domains * polarization screening * retention * negative capacitance Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.)

  1. Thickness-dependent a_1/a_2 domain evolution in ferroelectric PbTiO_3 films

    International Nuclear Information System (INIS)

    Li, S.; Zhu, Y.L.; Tang, Y.L.; Liu, Y.; Zhang, S.R.; Wang, Y.J.; Ma, X.L.

    2017-01-01

    Ferroelectric a_1/a_2 domain structure has great potentials in high dielectric capacitors and tunable microwave devices. Understanding its structure is crucial to better control the domain configurations for future applications. In this paper, PbTiO_3 thin films with variant thicknesses are deposited on (110)-oriented GdScO_3 substrates by Pulsed Laser Deposition (PLD) and investigated by using conventional transmission electron microscopy (TEM) and Cs-corrected Scanning TEM. Contrast analysis and electron diffractions reveal that PbTiO_3 films are domain oriented consisting of a_1/a_2 and a/c domain structure. The a_1/a_2 domains are found to distribute periodically and its width increases with increasing film thickness following square root rule. Cs-corrected STEM imaging demonstrates that the domain walls of a_1/a_2 domain structure have the rotation characteristic of 90° ferroelastic domain wall. The interchange of a_1/a_2 domains induces the formation of vertex domains composed of two 90° and one 180° domain walls. Strains are mainly concentrated on the domain walls. The formation of this complex domain configuration is discussed in terms of the effect of the misfit strain, film thickness and cooling rate. These results provide novel information about a_1/a_2 domain structures and are expected to shed some light on modulating a_1/a_2 ferroelectric domain patterns in the design of ferroelectric-based devices.

  2. Phase transitions and domain structures in multiferroics

    Science.gov (United States)

    Vlahos, Eftihia

    2011-12-01

    Thin film ferroelectrics and multiferroics are two important classes of materials interesting both from a scientific and a technological prospective. The volatility of lead and bismuth as well as environmental issues regarding the toxicity of lead are two disadvantages of the most commonly used ferroelectric random access memory (FeRAM) materials such as Pb(Zr,Ti)O3 and SrBi2Ta2O9. Therefore lead-free thin film ferroelectrics are promising substitutes as long as (a) they can be grown on technologically important substrates such as silicon, and (b) their T c and Pr become comparable to that of well established ferroelectrics. On the other hand, the development of functional room temperature ferroelectric ferromagnetic multiferroics could lead to very interesting phenomena such as control of magnetism with electric fields and control of electrical polarization with magnetic fields. This thesis focuses on the understanding of material structure-property relations using nonlinear optical spectroscopy. Nonlinear spectroscopy is an excellent tool for probing the onset of ferroelectricity, and domain dynamics in strained ferroelectrics and multiferroics. Second harmonic generation was used to detect ferroelectricity and the antiferrodistortive phase transition in thin film SrTiO3. Incipient ferroelectric CaTiO3 has been shown to become ferroelectric when strained with a combination of SHG and dielectric measurements. The tensorial nature of the induced nonlinear polarization allows for probing of the BaTiO3 and SrTiO3 polarization contributions in nanoscale BaTiO3/SrTiO3 superlattices. In addition, nonlinear optics was used to demonstrate ferroelectricity in multiferroic EuTiO3. Finally, confocal SHG and Raman microscopy were utilized to visualize polar domains in incipient ferroelectric and ferroelastic CaTiO3.

  3. Photoinduced Domain Pattern Transformation in Ferroelectric-Dielectric Superlattices

    Energy Technology Data Exchange (ETDEWEB)

    Ahn, Youngjun; Park, Joonkyu; Pateras, Anastasios; Rich, Matthew B.; Zhang, Qingteng; Chen, Pice; Yusuf, Mohammed H.; Wen, Haidan; Dawber, Matthew; Evans, Paul G.

    2017-07-01

    The nanodomain pattern in ferroelectric/dielectric superlattices transforms to a uniform polarization state under above-bandgap optical excitation. X-ray scattering reveals a disappearance of domain diffuse scattering and an expansion of the lattice. The reappearance of the domain pattern occurs over a period of seconds at room temperature, suggesting a transformation mechanism in which charge carriers in long-lived trap states screen the depolarization field. A Landau-Ginzburg-Devonshire model predicts changes in lattice parameter and a critical carrier concentration for the transformation.

  4. Ferroelectric domain inversion and its stability in lithium niobate thin film on insulator with different thicknesses

    Energy Technology Data Exchange (ETDEWEB)

    Shao, Guang-hao; Bai, Yu-hang; Cui, Guo-xin; Li, Chen; Qiu, Xiang-biao; Wu, Di; Lu, Yan-qing, E-mail: yqlu@nju.edu.cn [National Laboratory of Solid State Microstructures, College of Engineering and Applied Sciences, and Collaborative Innovation Center of Advanced Microstructures, Nanjing University, Nanjing 210093 (China); Geng, De-qiang [Jinan Jingzheng Electronics Co., Ltd., Jinan 250100 (China)

    2016-07-15

    Ferroelectric domain inversion and its effect on the stability of lithium niobate thin films on insulator (LNOI) are experimentally characterized. Two sets of specimens with different thicknesses varying from submicron to microns are selected. For micron thick samples (∼28 μm), domain structures are achieved by pulsed electric field poling with electrodes patterned via photolithography. No domain structure deterioration has been observed for a month as inspected using polarizing optical microscopy and etching. As for submicron (540 nm) films, large-area domain inversion is realized by scanning a biased conductive tip in a piezoelectric force microscope. A graphic processing method is taken to evaluate the domain retention. A domain life time of 25.0 h is obtained and possible mechanisms are discussed. Our study gives a direct reference for domain structure-related applications of LNOI, including guiding wave nonlinear frequency conversion, nonlinear wavefront tailoring, electro-optic modulation, and piezoelectric devices.

  5. Energy landscape scheme for an intuitive understanding of complex domain dynamics in ferroelectric thin films.

    Science.gov (United States)

    Kim, Tae Heon; Yoon, Jong-Gul; Baek, Seung Hyub; Park, Woong-kyu; Yang, Sang Mo; Yup Jang, Seung; Min, Taeyuun; Chung, Jin-Seok; Eom, Chang-Beom; Noh, Tae Won

    2015-07-01

    Fundamental understanding of domain dynamics in ferroic materials has been a longstanding issue because of its relevance to many systems and to the design of nanoscale domain-wall devices. Despite many theoretical and experimental studies, a full understanding of domain dynamics still remains incomplete, partly due to complex interactions between domain-walls and disorder. We report domain-shape-preserving deterministic domain-wall motion, which directly confirms microscopic return point memory, by observing domain-wall breathing motion in ferroelectric BiFeO3 thin film using stroboscopic piezoresponse force microscopy. Spatial energy landscape that provides new insights into domain dynamics is also mapped based on the breathing motion of domain walls. The evolution of complex domain structure can be understood by the process of occupying the lowest available energy states of polarization in the energy landscape which is determined by defect-induced internal fields. Our result highlights a pathway for the novel design of ferroelectric domain-wall devices through the engineering of energy landscape using defect-induced internal fields such as flexoelectric fields.

  6. Energy landscape scheme for an intuitive understanding of complex domain dynamics in ferroelectric thin films

    Science.gov (United States)

    Heon Kim, Tae; Yoon, Jong-Gul; Hyub Baek, Seung; Park, Woong-Kyu; Mo Yang, Sang; Yup Jang, Seung; Min, Taeyuun; Chung, Jin-Seok; Eom, Chang-Beom; Won Noh, Tae

    2015-07-01

    Fundamental understanding of domain dynamics in ferroic materials has been a longstanding issue because of its relevance to many systems and to the design of nanoscale domain-wall devices. Despite many theoretical and experimental studies, a full understanding of domain dynamics still remains incomplete, partly due to complex interactions between domain-walls and disorder. We report domain-shape-preserving deterministic domain-wall motion, which directly confirms microscopic return point memory, by observing domain-wall breathing motion in ferroelectric BiFeO3 thin film using stroboscopic piezoresponse force microscopy. Spatial energy landscape that provides new insights into domain dynamics is also mapped based on the breathing motion of domain walls. The evolution of complex domain structure can be understood by the process of occupying the lowest available energy states of polarization in the energy landscape which is determined by defect-induced internal fields. Our result highlights a pathway for the novel design of ferroelectric domain-wall devices through the engineering of energy landscape using defect-induced internal fields such as flexoelectric fields.

  7. Investigation of Ferroelectric Domain Walls by Raman Spectroscopy

    Science.gov (United States)

    Stone, Gregory A.

    Ferroelectric materials are characterized by an intrinsic spontaneous electric dipole moment that can be manipulated by the application of an electric field. Regions inside the crystal, known as domains, can have the spontaneous dipole moments oriented in a different direction than the surrounding crystal. Due to favorable piezoelectric, pyroelectric, electro-optic, and nonlinear optical properties, ferroelectric materials are attractive for commercial applications. Many devices, such as nonlinear frequency converters, require precisely engineered domain patterns. The properties of domains and their boundaries, known as domain walls, are vital to the performance and limitations of these devices. As a result, ferroelectric domains and the domain walls have been the focus of many scientific studies. Despite all this work, questions remain regarding their properties. This work is aimed at developing a better understanding of the properties of the domain wall using confocal Raman spectroscopy. Raman spectra taken from domain walls in Lithium Niobate and Lithium Tantalate reveal two distinct changes in the Raman spectra: (1) Shifts in frequency of the bulk Raman modes, which persists over a range of 0.2-0.5 mu m from the domain wall. The absence of this effect in defect free stoichiometric Lithium Tantalate indicates that the shifts are related to defects inside the crystal. (2) The presence of Raman modes corresponding to phonons propagating orthogonal to the laser beam axis, which are not collected in the bulk crystal. The phonons also preferential propagate normal to the domain wall. These modes are detected up to 0.35 mum from the domain wall. The observation and separation of these effects was made possible by the optimized spatial resolution (0.23 mum) of a home-built scanning confocal microscope and the fact that degeneracy of the transverse and longitudinal phonon polarization is lifted by polar phonons in Lithium Niobate and Lithium Tantalate. Raman

  8. Strain Engineering of Ferroelectric Domains in KxNa1−xNbO3 Epitaxial Layers

    Directory of Open Access Journals (Sweden)

    Jutta Schwarzkopf

    2017-08-01

    Full Text Available The application of lattice strain through epitaxial growth of oxide films on lattice mismatched perovskite-like substrates strongly influences the structural properties of ferroelectric domains and their corresponding piezoelectric behavior. The formation of different ferroelectric phases can be understood by a strain-phase diagram, which is calculated within the framework of the Landau–Ginzburg–Devonshire theory. In this paper, we illustrate the opportunity of ferroelectric domain engineering in the KxNa1−xNbO3 lead-free material system. In particular, the following examples are discussed in detail: (i Different substrates (NdGaO3, SrTiO3, DyScO3, TbScO3, and GdScO3 are used to systematically tune the incorporated epitaxial strain from compressive to tensile. This can be exploited to adjust the NaNbO3 thin film surface orientation and, concomitantly, the vector of electrical polarization, which rotates from mainly vertical to exclusive in-plane orientation. (ii In ferroelectric NaNbO3, thin films grown on rare-earth scandate substrates, highly regular stripe domain patterns are observed. By using different film thicknesses, these can be tailored with regard to domain periodicity and vertical polarization component. (iii A featured potassium concentration of x = 0.9 of KxNa1−xNbO3 thin films grown on (110 NdScO3 substrates favors the coexistence of two equivalent, monoclinic, but differently oriented ferroelectric phases. A complicated herringbone domain pattern is experimentally observed which consists of alternating MC and a1a2 domains. The coexistence of different types of ferroelectric domains leads to polarization discontinuities at the domain walls, potentially enabling high piezoelectric responses. In each of these examples, the experimental results are in excellent agreement with predictions based on the linear elasticity theory.

  9. Fatigue effect in ferroelectric crystals: Growth of the frozen domains

    Science.gov (United States)

    Shur, V. Ya.; Akhmatkhanov, A. R.; Baturin, I. S.

    2012-06-01

    The model of the fatigue effect during cyclic switching caused by growth of the frozen domain area with charged domain walls has been proposed. It was claimed on the basis of the previous experimental results that for switching in increasing field the frozen domain area started to grow at the given sub-threshold field value and stopped at the threshold field. The influence of the shape and frequency of the field pulses used for cyclic switching has been considered. The uniaxial ferroelectric stoichiometric lithium tantalate single crystals produced by vapor transport equilibration with record low value of coercive field have been chosen as a model material for experimental verification of the model. The formation of the charged domain walls as a result of cyclic switching has been revealed by analysis of the domain images obtained by optical and Raman confocal microscopy. It has been shown that the fatigue degree is equal to the fraction of the frozen domain area. The experimental dependence of the switched charge on the cycle number has been successfully fitted by modified Kolmogorov-Avrami formula. The experimentally observed frequency independence of fatigue profile for rectangular pulses and frequency dependence for triangular pulses has been explained by proposed model.

  10. Structural Properties of Ferroelectric Perovskites

    National Research Council Canada - National Science Library

    Vanderbilt, David

    1998-01-01

    Under this research grant, we carried out realistic first-principles computer calculations of the ground-state and finite-temperature structural and dielectric properties of cubic perovskite materials...

  11. Self-templated synthesis of single-crystal and single-domain ferroelectric nanoplates

    KAUST Repository

    Chao, Chunying

    2012-08-15

    Free-standing single-crystal PbTiO 3 nanoplates (see picture) were synthesized by a facile hydrothermal method. A "self-templated" crystal growth is presumed to lead to the formation of the PbTiO 3 nanoplates, which have ferroelectric single-domain structures, whose polarization areas can be manipulated by writing and reading. The nanoplates are also effective catalysts for the oxidation of carbon monoxide. © 2012 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Piezoelectric properties of twinned ferroelectric perovskites with head-to-head and tail-to-tail domain walls

    Czech Academy of Sciences Publication Activity Database

    Ondrejkovič, Petr; Márton, Pavel; Guennou, Mael; Setter, N.; Hlinka, Jiří

    2013-01-01

    Roč. 88, č. 2 (2013), "024114-1"-"024114-9" ISSN 1098-0121 Grant - others:7th Framework Programme(XE) 268058 Institutional support: RVO:68378271 Keywords : piezoelectric properties * charged domain walls * domain structure * twinned ferroelectric Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.664, year: 2013 http://link. aps .org/doi/10.1103/PhysRevB.88.024114

  13. Evolution of defect signatures at ferroelectric domain walls in Mg-doped LiNbO3

    International Nuclear Information System (INIS)

    Nataf, Guillaume F.; Guennou, Mael; Haussmann, Alexander; Barrett, Nick; Kreisel, Jens

    2016-01-01

    The domain structure of uniaxial ferroelectric lithium niobate single crystals is investigated using Raman spectroscopy mapping. The influence of doping with magnesium and poling at room temperature is studied by analysing frequency shifts at domain walls and their variations with dopant concentration and annealing conditions. It is shown that defects are stabilized at domain walls and that changes in the defect structures with Mg concentration can be probed by the shift of Raman modes. We show that the signatures of polar defects in the bulk and at the domain walls differ. (copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  14. Evolution of defect signatures at ferroelectric domain walls in Mg-doped LiNbO{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Nataf, Guillaume F. [Materials, Research and Technology Department, Luxembourg Institute of Science and Technology, 41 Rue du Brill, 4422, Belvaux (Luxembourg); Service de Physique de l' Etat Condense, DSM/IRAMIS/SPEC, CNRS UMR 3680, CEA Saclay, 91191, Gif sur Yvette cedex (France); Guennou, Mael [Materials, Research and Technology Department, Luxembourg Institute of Science and Technology, 41 Rue du Brill, 4422, Belvaux (Luxembourg); Haussmann, Alexander [Institut fuer Angewandte Photophysik, Technische Universitaet Dresden, George-Baehr-Str. 1, 01069, Dresden (Germany); Barrett, Nick [Service de Physique de l' Etat Condense, DSM/IRAMIS/SPEC, CNRS UMR 3680, CEA Saclay, 91191, Gif sur Yvette cedex (France); Kreisel, Jens [Materials, Research and Technology Department, Luxembourg Institute of Science and Technology, 41 Rue du Brill, 4422, Belvaux (Luxembourg); Physics and Materials Science Research Unit, University of Luxembourg, 41 Rue du Brill, 4422, Belvaux (Luxembourg)

    2016-03-15

    The domain structure of uniaxial ferroelectric lithium niobate single crystals is investigated using Raman spectroscopy mapping. The influence of doping with magnesium and poling at room temperature is studied by analysing frequency shifts at domain walls and their variations with dopant concentration and annealing conditions. It is shown that defects are stabilized at domain walls and that changes in the defect structures with Mg concentration can be probed by the shift of Raman modes. We show that the signatures of polar defects in the bulk and at the domain walls differ. (copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  15. Geometric shape control of thin film ferroelectrics and resulting structures

    Science.gov (United States)

    McKee, Rodney A.; Walker, Frederick J.

    2000-01-01

    A monolithic crystalline structure and a method of making involves a semiconductor substrate, such as silicon, and a ferroelectric film, such as BaTiO.sub.3, overlying the surface of the substrate wherein the atomic layers of the ferroelectric film directly overlie the surface of the substrate. By controlling the geometry of the ferroelectric thin film, either during build-up of the thin film or through appropriate treatment of the thin film adjacent the boundary thereof, the in-plane tensile strain within the ferroelectric film is relieved to the extent necessary to permit the ferroelectric film to be poled out-of-plane, thereby effecting in-plane switching of the polarization of the underlying substrate material. The method of the invention includes the steps involved in effecting a discontinuity of the mechanical restraint at the boundary of the ferroelectric film atop the semiconductor substrate by, for example, either removing material from a ferroelectric film which has already been built upon the substrate, building up a ferroelectric film upon the substrate in a mesa-shaped geometry or inducing the discontinuity at the boundary by ion beam deposition techniques.

  16. Alignment structures in ferroelectric liquid crystals

    Energy Technology Data Exchange (ETDEWEB)

    Islam, N.U

    1998-07-01

    Although for many years liquid crystals were of purely scientific interest, they have now become ubiquitous in everyday life. The use of the nematic liquid crystal phase in flat panel display applications has been the main factor in this popularity. However, with the advent of the SuperTwist Nematic (STN) device, the limits to which this phase could be exploited for display applications was perhaps reached. With the discovery by Clark et al. of the Surface Stabilised Ferroelectric Liquid Crystal (SSFLC) configuration, the possibility arose of using chiral smectic liquid crystals to create large area, passively addressed, fast switching, flat panel displays. Unfortunately, the structures that form within smectic liquid crystals, and the dynamics of the switching within these, are still not fully understood. In this thesis we address the former of these, making a detailed the study of the structures that form within tilted smectic liquid crystal devices. We present here the first complete theoretical and experimental study of various different ferroelectric liquid crystal materials, where we employed theoretical models based on a simple set of assumptions to understand the behaviour of a set of increasingly complex experimental systems. We started with the simplest of these, Freely Suspended Smectic Films (FSSFs) and then worked with progressively more realistic systems in the form of homeotropically, and later, homogeneously aligned liquid crystal cells. The equilibrium structures that form get particularly complex in the last case, taking the form of tilted and chevron layering structures. In each of these cases, the predictions of the modelling are compared with our experimental results. Further, we present here the first model of the chevron cusp that seeks to include the effects of biaxiality in the S{sub C} phase. We also present a model that seeks to analyse the stability of the chevron layering structure and its relationship with tilted layers. This includes

  17. Alignment structures in ferroelectric liquid crystals

    International Nuclear Information System (INIS)

    Islam, N.U.

    1998-01-01

    Although for many years liquid crystals were of purely scientific interest, they have now become ubiquitous in everyday life. The use of the nematic liquid crystal phase in flat panel display applications has been the main factor in this popularity. However, with the advent of the SuperTwist Nematic (STN) device, the limits to which this phase could be exploited for display applications was perhaps reached. With the discovery by Clark et al. of the Surface Stabilised Ferroelectric Liquid Crystal (SSFLC) configuration, the possibility arose of using chiral smectic liquid crystals to create large area, passively addressed, fast switching, flat panel displays. Unfortunately, the structures that form within smectic liquid crystals, and the dynamics of the switching within these, are still not fully understood. In this thesis we address the former of these, making a detailed the study of the structures that form within tilted smectic liquid crystal devices. We present here the first complete theoretical and experimental study of various different ferroelectric liquid crystal materials, where we employed theoretical models based on a simple set of assumptions to understand the behaviour of a set of increasingly complex experimental systems. We started with the simplest of these, Freely Suspended Smectic Films (FSSFs) and then worked with progressively more realistic systems in the form of homeotropically, and later, homogeneously aligned liquid crystal cells. The equilibrium structures that form get particularly complex in the last case, taking the form of tilted and chevron layering structures. In each of these cases, the predictions of the modelling are compared with our experimental results. Further, we present here the first model of the chevron cusp that seeks to include the effects of biaxiality in the S C phase. We also present a model that seeks to analyse the stability of the chevron layering structure and its relationship with tilted layers. This includes an

  18. Temporary formation of highly conducting domain walls for non-destructive read-out of ferroelectric domain-wall resistance switching memories

    Science.gov (United States)

    Jiang, Jun; Bai, Zi Long; Chen, Zhi Hui; He, Long; Zhang, David Wei; Zhang, Qing Hua; Shi, Jin An; Park, Min Hyuk; Scott, James F.; Hwang, Cheol Seong; Jiang, An Quan

    2018-01-01

    Erasable conductive domain walls in insulating ferroelectric thin films can be used for non-destructive electrical read-out of the polarization states in ferroelectric memories. Still, the domain-wall currents extracted by these devices have not yet reached the intensity and stability required to drive read-out circuits operating at high speeds. This study demonstrated non-destructive read-out of digital data stored using specific domain-wall configurations in epitaxial BiFeO3 thin films formed in mesa-geometry structures. Partially switched domains, which enable the formation of conductive walls during the read operation, spontaneously retract when the read voltage is removed, reducing the accumulation of mobile defects at the domain walls and potentially improving the device stability. Three-terminal memory devices produced 14 nA read currents at an operating voltage of 5 V, and operated up to T = 85 °C. The gap length can also be smaller than the film thickness, allowing the realization of ferroelectric memories with device dimensions far below 100 nm.

  19. Structural domain walls in polar hexagonal manganites

    Science.gov (United States)

    Kumagai, Yu

    2014-03-01

    The domain structure in the multiferroic hexagonal manganites is currently intensely investigated, motivated by the observation of intriguing sixfold topological defects at their meeting points [Choi, T. et al,. Nature Mater. 9, 253 (2010).] and nanoscale electrical conductivity at the domain walls [Wu, W. et al., Phys. Rev. Lett. 108, 077203 (2012).; Meier, D. et al., Nature Mater. 11, 284 (2012).], as well as reports of coupling between ferroelectricity, magnetism and structural antiphase domains [Geng, Y. et al., Nano Lett. 12, 6055 (2012).]. The detailed structure of the domain walls, as well as the origin of such couplings, however, was previously not fully understood. In the present study, we have used first-principles density functional theory to calculate the structure and properties of the low-energy structural domain walls in the hexagonal manganites [Kumagai, Y. and Spaldin, N. A., Nature Commun. 4, 1540 (2013).]. We find that the lowest energy domain walls are atomically sharp, with {210}orientation, explaining the orientation of recently observed stripe domains and suggesting their topological protection [Chae, S. C. et al., Phys. Rev. Lett. 108, 167603 (2012).]. We also explain why ferroelectric domain walls are always simultaneously antiphase walls, propose a mechanism for ferroelectric switching through domain-wall motion, and suggest an atomistic structure for the cores of the sixfold topological defects. This work was supported by ETH Zurich, the European Research Council FP7 Advanced Grants program me (grant number 291151), the JSPS Postdoctoral Fellowships for Research Abroad, and the MEXT Elements Strategy Initiative to Form Core Research Center TIES.

  20. Composition driven structural instability in perovskite ferroelectrics

    Directory of Open Access Journals (Sweden)

    Chao Xu

    2017-04-01

    Full Text Available Ferroelectric solid solutions usually exhibit enhanced functional properties at the morphotropic phase boundary separating two ferroelectric phases with different orientations of polarization. The underlying mechanism is generally associated with polarization rotational instability and the flattened free energy profile. In this work we show that the polarization extensional instability can also be induced at the morphotropic phase boundary beyond the reported polar-nonpolar phase boundary. The piezoelectricity enhanced by this mechanism exhibits excellent thermal stability, which helps to develop high performance piezoelectric materials with good temperature stability.

  1. Static negative capacitance of a ferroelectric nano-domain nucleus.

    Czech Academy of Sciences Publication Activity Database

    Sluka, T.; Mokrý, Pavel; Setter, N.

    2017-01-01

    Roč. 111, č. 15 (2017), č. článku 152902. ISSN 0003-6951 R&D Projects: GA ČR(CZ) GA14-32228S Institutional support: RVO:61389021 Keywords : Ferroelectric materials * Capacitors * Bipolar transistors * Electrodes * Dielectrics Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 3.411, year: 2016

  2. Ferroelectric Polarization Switching Dynamics and Domain Growth of Triglycine Sulfate and Imidazolium Perchlorate

    KAUST Repository

    Ma, He

    2016-04-10

    The weak bond energy and large anisotropic domain wall energy induce many special characteristics of the domain nucleation, growth, and polarization switch in triglycine sulfate (TGS) and imidazolium perchlorate (IM), two typical molecular ferroelectrics. Their domain nucleation and polarization switch are rather slower than those of conventional oxide ferroelectrics, which may be due to the weaker bond energy of hydrogen bond or van der Waals bond than that of ionic bond. These chemical bonds dominate the elastic energy, with the latter being an important component of domain wall energy and playing an important role in domain nucleation and domain growth. The ratio of anisotropic domain wall energy to Gibbs free energy is large in TGS and IM, which allows a favorable domain shape and a special domain evolution under a certain electric field. Therefore, this study not only sheds light on the physical nature but also indicates the application direction for molecular ferroelectrics. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim

  3. Ferroelectric tunnel junctions with multi-quantum well structures

    Energy Technology Data Exchange (ETDEWEB)

    Ma, Zhijun; Zhang, Tianjin, E-mail: zhangtj@hubu.edu.cn [Ministry of Education Key Laboratory for the Green Preparation and Application of Functional Materials, Hubei University, Wuhan 430062 (China); Hubei Collaborative Innovation Center for Advanced Organic Chemical Materials, Hubei University, Wuhan 430062 (China); Liang, Kun; Qi, Yajun; Wang, Duofa; Wang, Jinzhao; Jiang, Juan [Hubei Collaborative Innovation Center for Advanced Organic Chemical Materials, Hubei University, Wuhan 430062 (China)

    2014-06-02

    Ferroelectric tunnel junctions (FTJs) with multi-quantum well structures are proposed and the tunneling electroresistance (TER) effect is investigated theoretically. Compared with conventional FTJs with monolayer ferroelectric barriers, FTJs with single-well structures provide TER ratio improvements of one order of magnitude, while FTJs with optimized multi-well structures can enhance this improvement by another order of magnitude. It is believed that the increased resonant tunneling strength combined with appropriate asymmetry in these FTJs contributes to the improvement. These studies may help to fabricate FTJs with large TER ratio experimentally and put them into practice.

  4. Free-carrier-compensated charged domain walls produced with super-bandgap illumination in insulating ferroelectrics

    Czech Academy of Sciences Publication Activity Database

    Bednyakov, Petr; Sluka, T.; Tagantsev, A.; Damjanovic, D.; Setter, N.

    2016-01-01

    Roč. 28, č. 43 (2016), s. 9498-9503 ISSN 0935-9648 R&D Projects: GA ČR GA15-04121S Institutional support: RVO:68378271 Keywords : super-bandgap illumination * charged domain walls * ferroelectric BaTiO 3 * free-carrier generation Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 19.791, year: 2016

  5. Kinetics of Domain Switching by Mechanical and Electrical Stimulation in Relaxor-Based Ferroelectrics

    Science.gov (United States)

    Chen, Zibin; Hong, Liang; Wang, Feifei; An, Xianghai; Wang, Xiaolin; Ringer, Simon; Chen, Long-Qing; Luo, Haosu; Liao, Xiaozhou

    2017-12-01

    Ferroelectric materials have been extensively explored for applications in high-density nonvolatile memory devices because of their ferroelectric-ferroelastic domain-switching behavior under electric loading or mechanical stress. However, the existence of ferroelectric and ferroelastic backswitching would cause significant data loss, which affects the reliability of data storage. Here, we apply in situ transmission electron microscopy and phase-field modeling to explore the unique ferroelastic domain-switching kinetics and the origin of this in relaxor-based Pb (Mg1 /3Nb2 /3)O3-33 % PbTiO3 single-crystal pillars under electrical and mechanical stimulations. Results showed that the electric-mechanical hysteresis loop shifted for relaxor-based single-crystal pillars because of the low energy levels of domains in the material and the constraint on the pillars, resulting in various mechanically reversible and irreversible domain-switching states. The phenomenon can potentially be used for advanced bit writing and reading in nonvolatile memories, which effectively overcomes the backswitching problem and broadens the types of ferroelectric materials for nonvolatile memory applications.

  6. Far- and near-field second-harmonic imaging of ferroelectric domain walls

    DEFF Research Database (Denmark)

    Bozhevolnyi, Sergey I.; Pedersen, K.; Skettrup, Torben

    1998-01-01

    Domain walls in periodically poled ferroelectric LiNbO3 crystals are observed with both far- and near-field imaging techniques that make use of second harmonic generation in the transition regions between neighbouring domains. Second harmonic images of domain walls represent bright lines of about.......5 micrometers in width (as measured with the near-field microscope) for the polarization of the second harmonic radiation perpendicular to the domain walls. Origin and selection rules for the constrast in second harmonic images of domain walls are discussed....

  7. Ferroelectric domain switching dynamics and memristive behaviors in BiFeO3-based magnetoelectric heterojunctions

    Science.gov (United States)

    Huang, Weichuan; Liu, Yukuai; Luo, Zhen; Hou, Chuangming; Zhao, Wenbo; Yin, Yuewei; Li, Xiaoguang

    2018-06-01

    The ferroelectric domain reversal dynamics and the corresponding resistance switching as well as the memristive behaviors in epitaxial BiFeO3 (BFO, ~150 nm) based multiferroic heterojunctions were systematically investigated. The ferroelectric domain reversal dynamics could be described by the nucleation-limited-switching model with the Lorentzian distribution of logarithmic domain-switching times. By engineering the domain states, multi and even continuously tunable resistances states, i.e. memristive states, could be non-volatilely achieved. The resistance switching speed can be as fast as 30 ns in the BFO-based multiferroic heterojunctions with a write voltage of ~20 V. By reducing the thickness of BFO, the La0.6Sr0.4MnO3/BFO (~5 nm)/La0.6Sr0.4MnO3 multiferroic tunnel junction (MFTJ) shows an even a quicker switching speed (20 ns) with a much lower operation voltage (~4 V). Importantly, the MFTJ exhibits a tunable interfacial magnetoelectric coupling related to the ferroelectric domain switching dynamics. These findings enrich the potential applications of multiferroic BFO based devices in high-speed, low-power, and high-density memories as well as future neuromorphic computational architectures.

  8. Second-harmonic imaging of ferroelectric domain walls

    DEFF Research Database (Denmark)

    Bozhevolnyi, Sergey I.; Hvam, Jørn Märcher; Pedersen, Kjeld

    1998-01-01

    configurations are presented. The SH generation enhancement is found especially pronounced for the polarization of the SH radiation being perpendicular to the domain walls. The origin and selection rules for the contrast in SH images of domain walls are discussed. The results obtained suggest that the domain...

  9. Hierarchy and scaling behavior of multi-rank domain patterns in ferroelectric K0.9Na0.1NbO3 strained films

    Science.gov (United States)

    Braun, Dorothee; Schmidbauer, Martin; Hanke, Michael; Schwarzkopf, Jutta

    2018-01-01

    The formation process of a ferroelectric multi-rank domain pattern in the thickness range of 7-52 nm is investigated for monoclinic K0.9Na0.1NbO3 strained epitaxial films on (110) NdScO3 substrates. Although the elastic strain energy density is degenerated for two pseudocubic orientations, a distinctive hierarchy of domain evolution is observed with exclusive in-plane a1a2 domains for very thin films and the retarded onset of a ferroelectric MC phase at larger film thickness. This is accompanied by a thickness dependent transformation from stripe domains to a herringbone pattern and, eventually, for the thickest film, to a checkerboard-like structure. These transformations in the domain arrangement and width are correlated to energetic aspects as depolarization field and anisotropic strain relaxation in the film. While for the MC domains plastic strain relaxation is throughout observed, the a1a2 domains show a two-step strain relaxation mechanism starting with an in-plane elastic shearing, which is followed by plastic lattice relaxation. Our results highlight a pathway for engineering and patterning of periodic ferroelectric domain structures.

  10. Structural and electronic parameters of ferroelectric KWOF

    Science.gov (United States)

    Atuchin, V. V.; Gavrilova, T. A.; Kesler, V. G.; Molokeev, M. S.; Aleksandrov, K. S.

    2010-11-01

    The low-temperature ferroelectric G2 polymorph of K 3WO 3F 3 oxyfluoride is formed by chemical synthesis. The electronic parameters of G2-K 3WO 3F 3 have been measured by X-ray photoelectron spectroscopy under excitation with Al Kα radiation (1486.6 eV). Detailed spectra have been recorded for all element core levels and Auger lines. The chemical bonding effects in the WO 3F 3 and WO 6 octahedrons are considered by using the binding energy difference ΔBE(O-W)=BE(O 1s)-BE(W 4f).

  11. Three-dimensional imaging of vortex structure in a ferroelectric nanoparticle driven by an electric field.

    Science.gov (United States)

    Karpov, D; Liu, Z; Rolo, T Dos Santos; Harder, R; Balachandran, P V; Xue, D; Lookman, T; Fohtung, E

    2017-08-17

    Topological defects of spontaneous polarization are extensively studied as templates for unique physical phenomena and in the design of reconfigurable electronic devices. Experimental investigations of the complex topologies of polarization have been limited to surface phenomena, which has restricted the probing of the dynamic volumetric domain morphology in operando. Here, we utilize Bragg coherent diffractive imaging of a single BaTiO 3 nanoparticle in a composite polymer/ferroelectric capacitor to study the behavior of a three-dimensional vortex formed due to competing interactions involving ferroelectric domains. Our investigation of the structural phase transitions under the influence of an external electric field shows a mobile vortex core exhibiting a reversible hysteretic transformation path. We also study the toroidal moment of the vortex under the action of the field. Our results open avenues for the study of the structure and evolution of polar vortices and other topological structures in operando in functional materials under cross field configurations.Imaging of topological states of matter such as vortex configurations has generally been limited to 2D surface effects. Here Karpov et al. study the volumetric structure and dynamics of a vortex core mediated by electric-field induced structural phase transition in a ferroelectric BaTiO 3 nanoparticle.

  12. Three-dimensional, time-resolved profiling of ferroelectric domain wall dynamics by spectral-domain optical coherence tomography

    International Nuclear Information System (INIS)

    Haussmann, Alexander; Schmidt, Sebastian; Wehmeier, Lukas; Eng, Lukas M.; Kirsten, Lars; Cimalla, Peter; Koch, Edmund

    2017-01-01

    We apply here spectral-domain optical coherence tomography (SD-OCT) for the precise detection and temporal tracking of ferroelectric domain walls (DWs) in magnesium-doped periodically poled lithium niobate (Mg:PPLN). We reproducibly map static DWs at an axial (depth) resolution down to ∝ 0.6 μm, being located up to 0.5 mm well inside the single crystalline Mg:PPLN sample. We show that a full 3-dimensional (3D) reconstruction of the DW geometry is possible from the collected data, when applying a special algorithm that accounts for the nonlinear optical dispersion of the material. Our OCT investigation provides valuable reference information on the DWs' polarization charge distribution, which is known to be the key to the electrical conductivity of ferroelectric DWs in such systems. Hence, we carefully analyze the SD-OCT signal dependence both when varying the direction of incident polarization, and when applying electrical fields along the polar axis. Surprisingly, the large backreflection intensities recorded under extraordinary polarization are not affected by any electrical field, at least for field strengths below the switching threshold, while no significant signals above noise floor are detected under ordinary polarization. Finally, we employed the high-speed SD-OCT setup for the real-time DW tracking upon ferroelectric domain switching under high external fields. (copyright 2017 by WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  13. Three-dimensional, time-resolved profiling of ferroelectric domain wall dynamics by spectral-domain optical coherence tomography

    Energy Technology Data Exchange (ETDEWEB)

    Haussmann, Alexander; Schmidt, Sebastian; Wehmeier, Lukas; Eng, Lukas M. [Technische Universitaet Dresden, Institute of Applied Physics and Center for Advancing Electronics Dresden (cfaed), Dresden (Germany); Kirsten, Lars; Cimalla, Peter; Koch, Edmund [Technische Universitaet Dresden, Faculty of Medicine Carl Gustav Carus, Anesthesiology and Intensive Care Medicine, Clinical Sensoring and Monitoring, Dresden (Germany)

    2017-08-15

    We apply here spectral-domain optical coherence tomography (SD-OCT) for the precise detection and temporal tracking of ferroelectric domain walls (DWs) in magnesium-doped periodically poled lithium niobate (Mg:PPLN). We reproducibly map static DWs at an axial (depth) resolution down to ∝ 0.6 μm, being located up to 0.5 mm well inside the single crystalline Mg:PPLN sample. We show that a full 3-dimensional (3D) reconstruction of the DW geometry is possible from the collected data, when applying a special algorithm that accounts for the nonlinear optical dispersion of the material. Our OCT investigation provides valuable reference information on the DWs' polarization charge distribution, which is known to be the key to the electrical conductivity of ferroelectric DWs in such systems. Hence, we carefully analyze the SD-OCT signal dependence both when varying the direction of incident polarization, and when applying electrical fields along the polar axis. Surprisingly, the large backreflection intensities recorded under extraordinary polarization are not affected by any electrical field, at least for field strengths below the switching threshold, while no significant signals above noise floor are detected under ordinary polarization. Finally, we employed the high-speed SD-OCT setup for the real-time DW tracking upon ferroelectric domain switching under high external fields. (copyright 2017 by WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  14. Ferroelectric domain pattern in barium titanate single crystals studied by means of digital holographic microscopy

    Czech Academy of Sciences Publication Activity Database

    Mokrý, Pavel; Psota, Pavel; Steiger, Kateřina; Václavík, Jan; Doleček, Roman; Vápenka, David; Lédl, Vít

    2016-01-01

    Roč. 49, č. 25 (2016), č. článku 255307. ISSN 0022-3727 R&D Projects: GA ČR(CZ) GA14-32228S Institutional support: RVO:61389021 Keywords : ferroelectric domain patterns * electro-optical materials * digital holographic microscopy Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.588, year: 2016 http://iopscience.iop.org/article/10.1088/0022-3727/49/25/255307

  15. Voltage Drop in a Ferroelectric Single Layer Capacitor by Retarded Domain Nucleation.

    Science.gov (United States)

    Kim, Yu Jin; Park, Hyeon Woo; Hyun, Seung Dam; Kim, Han Joon; Kim, Keum Do; Lee, Young Hwan; Moon, Taehwan; Lee, Yong Bin; Park, Min Hyuk; Hwang, Cheol Seong

    2017-12-13

    Ferroelectric (FE) capacitor is a critical electric component in microelectronic devices. Among many of its intriguing properties, the recent finding of voltage drop (V-drop) across the FE capacitor while the positive charges flow in is especially eye-catching. This finding was claimed to be direct evidence that the FE capacitor is in negative capacitance (NC) state, which must be useful for (infinitely) high capacitance and ultralow voltage operation of field-effect transistors. Nonetheless, the NC state corresponds to the maximum energy state of the FE material, so it has been widely accepted in the community that the material alleviates that state by forming ferroelectric domains. This work reports a similar V-drop effect from the 150 nm thick epitaxial BaTiO 3 ferroelectric thin film, but the interpretation was completely disparate; the V-drop can be precisely simulated by the reverse domain nucleation and propagation of which charge effect cannot be fully compensated for by the supplied charge from the external charge source. The disappearance of the V-drop effect was also observed by repeated FE switching only up to 10 cycles, which can hardly be explained by the involvement of the NC effect. The retained reverse domain nuclei even after the subsequent poling can explain such behavior.

  16. Ferroelectric nanoparticle-embedded sponge structure triboelectric generators

    Science.gov (United States)

    Park, Daehoon; Shin, Sung-Ho; Yoon, Ick-Jae; Nah, Junghyo

    2018-05-01

    We report high-performance triboelectric nanogenerators (TENGs) employing ferroelectric nanoparticles (NPs) embedded in a sponge structure. The ferroelectric BaTiO3 NPs inside the sponge structure play an important role in increasing surface charge density by polarized spontaneous dipoles, enabling the packaging of TENGs even with a minimal separation gap. Since the friction surfaces are encapsulated in the packaged device structure, it suffers negligible performance degradation even at a high relative humidity of 80%. The TENGs also demonstrated excellent mechanical durability due to the elasticity and flexibility of the sponge structure. Consequently, the TENGs can reliably harvest energy even under harsh conditions. The approach introduced here is a simple, effective, and reliable way to fabricate compact and packaged TENGs for potential applications in wearable energy-harvesting devices.

  17. Ferroelectric domains and phase evolution in (Fe:) KTa{sub 1−x}Nb{sub x}O{sub 3} crystals

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Hongyang; Cai, Kang; Fan, Ziran; Huang, Zhideng [Hubei Key Laboratory of Plasma Chemistry and Advanced Materials, Department of Materials Science and Engineering, Wuhan Institute of Technology, 693 Xiongchu Road, Wuhan 430073 (China); Ma, Zhibin, E-mail: mazb@wit.edu.cn [Hubei Key Laboratory of Plasma Chemistry and Advanced Materials, Department of Materials Science and Engineering, Wuhan Institute of Technology, 693 Xiongchu Road, Wuhan 430073 (China); Jia, Tingting; Kimura, Hideo [National Institute for Materials Science, Sengen 1-2-1, Tsukuba 305-0047 (Japan); Yang, Yuguo [New Materials Research Institute, Shandong Academy of Sciences, No. 19, Keyuan Road, Jinan 250014 (China); Matsumoto, Takao; Tohei, Tetsuya; Shibata, Naoya; Ikuhara, Yuichi [Institute of Engineering Innovation, School of Engineering, University of Tokyo, 2-11-16 Yayoi, Bunkyo-ku, Tokyo 113-8656 (Japan)

    2017-08-15

    Highlights: • Three phase transitions were observed: the R–O, O–T, T–C evolutions. • KTN ferroelectric domain switching is because of the nano-polar-regions. • The domain evolution showed KTN has triangle shape, but Fe: KTN has straight line. - Abstract: The domain structures and phase evolution in mixed ferroelectric (Fe): KTa{sub 1−x}Nb{sub x}O{sub 3} (KTN) crystals were investigated. Temperature dependent Raman spectra show that Curie temperatures of KTN and Fe: KTN are far below room temperature, but the ferroelectric domain switching was still visualized by scanning probe microscopy at room temperature. These observed domains origin from the nano-regions near the grain boundaries. In addition, the intrinsic domains (triangle for KTN and straight line/stripe for Fe: KTN) could only be observed at low temperature by transmission electron microscopy. Three phase transitions in Fe: KTN crystals were found by Raman spectroscopy and dielectric testing: 175 K for Rhombohedral-to-Orthorhombic (R–O), 210 K for Orthorhombic-to-Tetragonal (O–T) and 250 K for Tetragonal-to-Cubic (T–C), which is consistent with the domain behavior.

  18. The effect of the ferroelectric domain walls in the scanning near field optical microscopy response of periodically poled Ba2NaNb5O15 and LiNbO3 crystals

    International Nuclear Information System (INIS)

    Han, T P J; Jaque, F; Lamela, J; Jaque, D; Lifante, G; Cusso, F; Kamiskii, A A

    2009-01-01

    A study of Ba 2 NaNb 5 O 15 and LiNbO 3 crystals with periodic ferroelectric domain structures using the scanning near field optical microscopy technique is reported. Optical contrast is observed in the regions of ferroelectric domain boundaries and it is analysed using beam propagation method modelling. This reveals that the optical contrast, a consequence of changes in the refractive index, is not due to variation of the waveguide-coupling efficiency, and supports the hypothesis that it is associated with the domain array, which is related to the size of the domain. (fast track communication)

  19. Control of magnetic relaxation by electric-field-induced ferroelectric phase transition and inhomogeneous domain switching

    Energy Technology Data Exchange (ETDEWEB)

    Nan, Tianxiang; Emori, Satoru; Wang, Xinjun; Hu, Zhongqiang; Xie, Li; Gao, Yuan; Lin, Hwaider; Sun, Nian, E-mail: n.sun@neu.edu [Department of Electrical and Computer Engineering, Northeastern University, Boston, Massachusetts 02115 (United States); Peng, Bin; Liu, Ming, E-mail: mingliu@mail.xjtu.edu.cn [Electronic Materials Research Laboratory, Xi' an Jiaotong University, Xi' an 710049 (China); Jiao, Jie; Luo, Haosu [Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 201800 (China); Budil, David [Department of Chemistry, Northeastern University, Boston, Massachusetts 02115 (United States); Jones, John G.; Howe, Brandon M.; Brown, Gail J. [Materials and Manufacturing Directorate, Air Force Research Laboratory, Wright-Patterson AFB, Ohio 45433 (United States)

    2016-01-04

    Electric-field modulation of magnetism in strain-mediated multiferroic heterostructures is considered a promising scheme for enabling memory and magnetic microwave devices with ultralow power consumption. However, it is not well understood how electric-field-induced strain influences magnetic relaxation, an important physical process for device applications. Here, we investigate resonant magnetization dynamics in ferromagnet/ferroelectric multiferroic heterostructures, FeGaB/PMN-PT and NiFe/PMN-PT, in two distinct strain states provided by electric-field-induced ferroelectric phase transition. The strain not only modifies magnetic anisotropy but also magnetic relaxation. In FeGaB/PMN-PT, we observe a nearly two-fold change in intrinsic Gilbert damping by electric field, which is attributed to strain-induced tuning of spin-orbit coupling. By contrast, a small but measurable change in extrinsic linewidth broadening is attributed to inhomogeneous ferroelastic domain switching during the phase transition of the PMN-PT substrate.

  20. Correlation of electron backscatter diffraction and piezoresponse force microscopy for the nanoscale characterization of ferroelectric domains in polycrystalline lead zirconate titanate

    Science.gov (United States)

    Burnett, T. L.; Weaver, P. M.; Blackburn, J. F.; Stewart, M.; Cain, M. G.

    2010-08-01

    The functional properties of ferroelectric ceramic bulk or thin film materials are strongly influenced by their nanostructure, crystallographic orientation, and structural geometry. In this paper, we show how, by combining textural analysis, through electron backscattered diffraction, with piezoresponse force microscopy, quantitative measurements of the piezoelectric properties can be made at a scale of 25 nm, smaller than the domain size. The combined technique is used to obtain data on the domain-resolved effective single crystal piezoelectric response of individual crystallites in Pb(Zr0.4Ti0.6)O3 ceramics. The results offer insight into the science of domain engineering and provide a tool for the future development of new nanostructured ferroelectric materials for memory, nanoactuators, and sensors based on magnetoelectric multiferroics.

  1. Studies of switching structures in ferroelectric liquid crystal devices

    International Nuclear Information System (INIS)

    Pabla, D.S.

    1998-01-01

    The fast, bistable electro-optic response of ferroelectric liquid crystal (FLC) devices has made them prime candidates for use in display applications. However, before these applications can become widely commercially viable a number of key issues relating to the switching within these devices need to be addressed. One of these is related to the fact that while there has been much work done on modelling the switching process in FLC devices, with some moderate success, in the main these models have not accurately accounted for the physical processes taking place. In order to rectify this situation we present a simple, multi-variable approach which includes important physical phenomenon such as stressed states, partial and domain switching. Through using this model we learn more about the dynamic molecular profiles which may exist in devices, and use this as a springboard to undertake a comprehensive theoretical and experimental study of the molecular profiles of chevron structures under different types of addressing pulses and voltages. This entails modelling the dynamic profiles using a simple non flow reorientation theory and comparing these simulations directly with experimental data obtained through the use of two different optical characterisation techniques. Our findings show quite conclusively that for monopolar addressing within low and high voltage regimes and for low voltage bipolar pulses during the early stages of switching, the dynamic reorientation near the surfaces and central regions of the device lags the reorientation within the bulk. The reverse however being true for the high voltage bipolar addressing case. These results for chevron structures differ from previous theoretical predictions made by others using equations derived from the flow coupled chiral smectic C continuum theory. These flow coupled simulations however, refer to reorientation in bookshelf structures rather than the chevron type structures thought to exist in FLC devices. As

  2. Studies of switching structures in ferroelectric liquid crystal devices

    Energy Technology Data Exchange (ETDEWEB)

    Pabla, D.S

    1998-07-01

    The fast, bistable electro-optic response of ferroelectric liquid crystal (FLC) devices has made them prime candidates for use in display applications. However, before these applications can become widely commercially viable a number of key issues relating to the switching within these devices need to be addressed. One of these is related to the fact that while there has been much work done on modelling the switching process in FLC devices, with some moderate success, in the main these models have not accurately accounted for the physical processes taking place. In order to rectify this situation we present a simple, multi-variable approach which includes important physical phenomenon such as stressed states, partial and domain switching. Through using this model we learn more about the dynamic molecular profiles which may exist in devices, and use this as a springboard to undertake a comprehensive theoretical and experimental study of the molecular profiles of chevron structures under different types of addressing pulses and voltages. This entails modelling the dynamic profiles using a simple non flow reorientation theory and comparing these simulations directly with experimental data obtained through the use of two different optical characterisation techniques. Our findings show quite conclusively that for monopolar addressing within low and high voltage regimes and for low voltage bipolar pulses during the early stages of switching, the dynamic reorientation near the surfaces and central regions of the device lags the reorientation within the bulk. The reverse however being true for the high voltage bipolar addressing case. These results for chevron structures differ from previous theoretical predictions made by others using equations derived from the flow coupled chiral smectic C continuum theory. These flow coupled simulations however, refer to reorientation in bookshelf structures rather than the chevron type structures thought to exist in FLC devices. As

  3. Microscopic observation of ferroelectric domains in SrTiO3 using birefringence imaging techniques under high electric fields

    International Nuclear Information System (INIS)

    Manaka, Hirotaka; Nozaki, Hirofumi; Miura, Yoko

    2017-01-01

    Phase transitions in SrTiO 3 between quantum paraelectric, coherent paraelectric, and electric-field-induced ferroelectric states are governed by tetragonal domains with quantum fluctuations. However, their characteristics are still unclear. To observe the electric-field-induced ferroelectric state using birefringence imaging techniques, we developed a suitable sample holder to apply high electric fields of up to E ≃ 5 kV/cm and temperatures down to T = 20 K. From birefringence imaging measurements of the ferroelectric LiNbO 3 with varying electric field, distributions of the electric field in the sample stage were found to be negligible. In SrTiO 3 , a huge-retardance area corresponding to the ferroelectric domains appears at E > 2 kV/cm and T ≤ 60 K even though the paraelectric domains partially remain. Furthermore, the fast-axis direction rotates by 90° at the ferroelectric phase transition because of an electrostrictive effect in ferroelectrics. The phase diagram of the critical electric field and temperature agrees with previous reports obtained from dielectric and neutron scattering measurements. (author)

  4. Cross-sectional analysis of ferroelectric domains in PZT capacitors via piezoresponse force microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Liu, J S [School of Materials Science and Engineering, Southwest University of Science and Technology, Mianyang City (China); Zeng, H Z [State Key Laboratory of Electronic Thin Films and Integrated Devices, University of Electronic Science and Technology of China, Chengdu 610054 (China); Kholkin, A L [Department of Ceramic and Glass Engineering and CICECO, University of Aveiro, Aveiro 3810-193 (Portugal)

    2007-11-21

    Ferroelectric domains have been investigated on the cross-section of Pb(Zr{sub 0.55}Ti{sub 0.45})O{sub 3} (PZT) thin film capacitors by scanning probe microscopy. The static domain images on the cross-section were obtained by the lateral piezoresponse force microscopy (LPFM) method, in which the ac voltage used to induce the converse piezoelectric effect was applied between the conductive tip and the bottom electrode. The polarization component normal to the substrate could be characterized via both d{sub 33} and d{sub 15} piezoelectric coefficients, which resulted in a high resolution of LPFM images. After a variable dc bias was applied between the top and the bottom electrodes, the variations of domain image on the cross-section were recorded by the LPFM immediately. Upon the application of low bias, new domain sites appeared near the PZT/Pt interface opposite to the initial polarization. Forward stretch of new domains was facilitated under the dc field approaching the coercive field E{sub c}. Under a very high field (about three times of the E{sub c}), the sidewise expansion of columnar domains was observed. However, the domains were only partially switched even though a very high field was applied. The observed domain growth process indicated a lower energy barrier for nucleation compared with that of domain wall motion. Possible reasons for the incomplete switching are the substantial influences of the interface and depolarization in thin film capacitors.

  5. Subcritical switching dynamics and humidity effects in nanoscale studies of domain growth in ferroelectric thin films

    International Nuclear Information System (INIS)

    Blaser, Cédric; Paruch, Patrycja

    2015-01-01

    Ferroelectric domain switching in c-axis-oriented epitaxial Pb(Zr 0.2 Ti 0.8 )O 3 thin films was studied using biased scanning probe microscopy tips. While linear and logarithmic dependence of domain size on tip bias and writing time, respectively, are well known, we report an additional linear dependence on relative humidity in the 28–65% range. We map out the switched domain size as a function of both the tip bias and the applied pulse time and describe a growth-limited regime for very short pulses and a nucleation-limited regime for very low tip bias. Using ‘interrupted-switching’ measurements, we probe the nucleation regime with subcritical pulses and identify a surprisingly long relaxation time on the order of 100 ms, which we relate to ionic redistribution both on the surface and within the thin film itself. (paper)

  6. Dependence of the ferroelectric domain shape on the electric field of the microscope tip

    International Nuclear Information System (INIS)

    Starkov, Alexander S.; Starkov, Ivan A.

    2015-01-01

    A theory of an equilibrium shape of the domain formed in an electric field of a scanning force microscope (SFM) tip is proposed. We do not assume a priori that the domain has a fixed form. The shape of the domain is defined by the minimum of the free energy of the ferroelectric. This energy includes the energy of the depolarization field, the energy of the domain wall, and the energy of the interaction between the domain and the electric field of the SFM tip. The contributions of the apex and conical part of the tip are examined. Moreover, in the proposed approach, any narrow tip can be considered. The surface energy is determined on the basis of the Ginzburg-Landau-Devonshire theory and takes into account the curvature of the domain wall. The variation of the free energy with respect to the domain shape leads to an integro-differential equation, which must be solved numerically. Model results are illustrated for lithium tantalate ceramics

  7. Structural studies of different types of ferroelectric liquid crystalline substances

    Czech Academy of Sciences Publication Activity Database

    Obadović, D.Ž.; Stojanović, M.; Bubnov, Alexej; Éber, N.; Cvetinov, M.; Vajda, A.

    2011-01-01

    Roč. 35, č. 1 (2011), s. 3-13 ISSN 1450-7404 R&D Projects: GA AV ČR IAA100100911; GA AV ČR(CZ) GA202/09/0047; GA ČR(CZ) GAP204/11/0723 Grant - others:RFASI(RU) 02.740.11.5166 Institutional research plan: CEZ:AV0Z10100520 Keywords : ferroelectric liquid crystals * phase transition * structure of liquid crystalline phases * molecular parameters Subject RIV: BM - Solid Matter Physics ; Magnetism

  8. Phase-Field Simulations of Topological Structures and Topological Phase Transitions in Ferroelectric Oxide Heterostructures

    Science.gov (United States)

    Zijian Hong

    Ferroelectrics are materials that exhibit spontaneous electric polarization which can be switched between energy-degenerated states by external stimuli (e.g., mechanical force and electric field) that exceeds a critical value. They have wide potential applications in memories, capacitors, piezoelectric and pyroelectric sensors, and nanomechanical systems. Topological structures and topological phase transitions have been introduced to the condensed matter physics in the past few decades and have attracted broad attentions in various disciplines due to the rich physical insights and broad potential applications. Ferromagnetic topological structures such as vortex and skyrmion are known to be stabilized by the antisymmetric chiral interaction (e.g., Dzyaloshinskii-Moriya interaction). Without such interaction, ferroelectric topological structures (i.e., vortex, flux-closure, skyrmions, and merons) have been studied only recently with other designing strategies, such as reducing the dimension of the ferroelectrics. The overarching goal of this dissertation is to investigate the topological structures in ferroelectric oxide perovskites as well as the topological phase transitions under external applied forces. Pb(Zr,Ti)O3 (PZT) with morphotropic phase boundary is widely explored for high piezoelectric and dielectric properties. The domain structure of PZT tetragonal/rhombohedral (T/R) bilayer is investigated. Strong interfacial coupling is shown, with large polarization rotation to a lower symmetry phase near the T/R interface. Interlayer domain growth can also be captured, with T-domains in the R layer and R-domains in the T layer. For thin PZT bilayer with 5nm of T-layer and 20 nm of R-layer, the a1/a 2 twin domain structure is formed in the top T layer, which could be fully switched to R domains under applied bias. While a unique flux-closure pattern is observed both theoretically and experimentally in the thick bilayer film with 50 nm of thickness for both T and R

  9. Study of the mapping mechanism of ferroelectric domains with the scanning force microscope

    International Nuclear Information System (INIS)

    Jungk, T.

    2006-12-01

    The piezo-force microscopy (PFM) allows the mapping of ferroelectric domains until the nanometer range. In spite of its simple function principle it was hitherto not completely understood. In ordser to develop the PFM further to a quantitative analysis method its methodical aspects were analyzed. It was shown that the fundamental mapping mechanism is based on the inverse piezo-effect. Different artefacts to be found in the literature could therefore be reduced to a measurement background. Furthermore the influence of the electrode geometry was analyzed. The width of doamin walls was systematically measured and simulated with a mode, whereby a maximal resolution of 17 nm was reached. By the development of a correction procedure for the exact detection of the forces acting on the spring-beam the lateral signals measured on domain walls could by newly interpreted. So the ''Lateral Electrostatic Force Microscopy'' was developed

  10. Modeling of Structure Effect for Ferroelectric Capacitor Based on Poly(vinylidene fluoride-trifluoroethylene Ultrathin Films

    Directory of Open Access Journals (Sweden)

    Long Li

    2017-12-01

    Full Text Available The characteristics of ferroelectric capacitors with poly(vinylidene fluoride-trifluoroethlene (P(VDF-TrFE films have been studied at different structures of cell electrodes. It is suggested that the effect of electrode structures could induce changes of performance. Remarkably, cells with line electrodes display a better polarization and fatigue resistance than those with flat electrodes. For P(VDF-TrFE ultrathin films with different electrode structures, the models of charge compensation mechanism for depolarization field and domain fatigue decomposition are used to explain the effect of electrode structure. Furthermore, the driving voltage based on normal speed-functionality is designed, and the testing results show that the line electrode structure could induce a robust switching, which is determined by the free charges concentration in active layer. These findings provide an effective route to design the optimum structure for a ferroelectric capacitor based on P(VDF-TrFE copolymer ultrathin film.

  11. Photoinduced effects of ferroelectric domains in PbZr1-xTixO3 thin films as obtained by using piezoresponse force microscopy

    International Nuclear Information System (INIS)

    Jang, Y. H.; Kim, C. H.; Hwang, H. J.; Cho, J. H.; Moon, H. B.; Bhang, S. H.

    2011-01-01

    Piezoresponse force microscopy (PFM) has been used to investigate the photoinduced effect of ferroelectric domains in PbZr 1-x Ti x O 3 (PZT) thin films. In order to perform nondestructive visualization of the high-resolution domain structure, we optimized the imaging condition, such as applying a lower voltage than 1.0 Vpp (peak-to-peak voltage). In this study, domain changes were measured before and after illumination on the surface of PZT films by using an UV light emitting diode (LED) source (λ = 310 nm) with a focusing lens to investigate the influence of the photoinduced carriers on the ferroelectric polarization. In addition, to investigate the photoinduced effects on the domain distribution, we performed histogram of positive and negative domains before and after UV-light illumination. The illumination with UV light resulted in an increase of the positive domain of the out-of-plane mode. Also, a change in the out-of-plane domain distribution was observed before and after UV illumination. The relaxation of photoinduced changes was monitored by repeated scans within a time range of 20 ∼ 60 minutes.

  12. Losses in Ferroelectric Materials

    Science.gov (United States)

    Liu, Gang; Zhang, Shujun; Jiang, Wenhua; Cao, Wenwu

    2015-01-01

    loss mechanisms are discussed in terms of compositions, crystal structures, temperature, domain configurations, domain sizes and grain boundaries. The intrinsic and extrinsic contributions to the total energy dissipation are quantified. In domain engineered ferroelectric single crystals and ceramics, polarization rotations, domain wall motions and mechanical wave scatterings at grain boundaries are believed to control the mechanical quality factors of piezoelectric resonators. We show that a thorough understanding on the kinetic processes is critical in analyzing energy loss behavior and other time-dependent properties in ferroelectric materials. At the end of the review, existing challenges in the study and control of losses in ferroelectric materials are analyzed, and future perspective in resolving these issues is discussed. PMID:25814784

  13. Losses in Ferroelectric Materials.

    Science.gov (United States)

    Liu, Gang; Zhang, Shujun; Jiang, Wenhua; Cao, Wenwu

    2015-03-01

    loss mechanisms are discussed in terms of compositions, crystal structures, temperature, domain configurations, domain sizes and grain boundaries. The intrinsic and extrinsic contributions to the total energy dissipation are quantified. In domain engineered ferroelectric single crystals and ceramics, polarization rotations, domain wall motions and mechanical wave scatterings at grain boundaries are believed to control the mechanical quality factors of piezoelectric resonators. We show that a thorough understanding on the kinetic processes is critical in analyzing energy loss behavior and other time-dependent properties in ferroelectric materials. At the end of the review, existing challenges in the study and control of losses in ferroelectric materials are analyzed, and future perspective in resolving these issues is discussed.

  14. Functional Properties of Polydomain Ferroelectric Oxide Thin Films

    NARCIS (Netherlands)

    Houwman, Evert Pieter; Vergeer, Kurt; Koster, Gertjan; Rijnders, Augustinus J.H.M.; Nishikawa, H.; Iwata, N.; Endo, T.; Takamura, Y.; Lee, G-H.; Mele, P.

    2017-01-01

    The properties of a ferroelectric, (001)-oriented, thin film clamped to a substrate are investigated analytically and numerically. The emphasis is on the tetragonal, polydomain, ferroelectric phase, using a three domain structure, as is observed experimentally, instead of the two-domain structure

  15. Indentation plasticity of barium titanate single crystals: Dislocation influence on ferroelectric domain walls

    Energy Technology Data Exchange (ETDEWEB)

    Liu, D. [Department of Mechanical Engineering, University of Houston, 4800 Calhoun Road, Houston, TX 77204 (United States)]. E-mail: duo.liu@mail.uh.edu; Chelf, M. [Department of Mechanical Engineering, University of Houston, 4800 Calhoun Road, Houston, TX 77204 (United States); White, K.W. [Department of Mechanical Engineering, University of Houston, 4800 Calhoun Road, Houston, TX 77204 (United States)

    2006-10-15

    The plastic behaviors of barium titanate (001) and (110) single crystals are studied with atomic force microscopy and piezoresponse force microscopy (PFM) following nanoindendation damage. Plastic deformation mechanisms of ferroelectric barium titanate single crystals are discussed with a focus on the interaction between PFM response and dislocation activities. Nanoindentation tests indicate that the theoretical strength is approached prior to the first pop-in event, consistent with the creation of dislocation nucleation sites required for the onset of plasticity. Surface topographic and piezoelectric analyses indicate that pile-ups around indents result from dislocation activities on the primary slip system, {l_brace}110{r_brace}{sub pc}<11-bar 0>{sub pc}. The more complex indentation-induced domain patterns observed on (110) barium titanate are also discussed.

  16. Indentation plasticity of barium titanate single crystals: Dislocation influence on ferroelectric domain walls

    International Nuclear Information System (INIS)

    Liu, D.; Chelf, M.; White, K.W.

    2006-01-01

    The plastic behaviors of barium titanate (001) and (110) single crystals are studied with atomic force microscopy and piezoresponse force microscopy (PFM) following nanoindendation damage. Plastic deformation mechanisms of ferroelectric barium titanate single crystals are discussed with a focus on the interaction between PFM response and dislocation activities. Nanoindentation tests indicate that the theoretical strength is approached prior to the first pop-in event, consistent with the creation of dislocation nucleation sites required for the onset of plasticity. Surface topographic and piezoelectric analyses indicate that pile-ups around indents result from dislocation activities on the primary slip system, {110} pc pc . The more complex indentation-induced domain patterns observed on (110) barium titanate are also discussed

  17. p-n Junction Dynamics Induced in a Graphene Channel by Ferroelectric-Domain Motion in the Substrate

    International Nuclear Information System (INIS)

    Kurchak, Anatolii I.; Eliseev, Eugene A.; Kalinin, Sergei V.; Strikha, Maksym V.; Morozovska, Anna N.

    2017-01-01

    The p - n junction dynamics induced in a graphene channel by stripe-domain nucleation, motion, and reversal in a ferroelectric substrate is explored using a self-consistent approach based on Landau-Ginzburg-Devonshire phenomenology combined with classical electrostatics. Relatively low gate voltages are required to induce the hysteresis of ferroelectric polarization and graphene charge in response to the periodic gate voltage. Pronounced nonlinear hysteresis of graphene conductance with a wide memory window corresponds to high amplitudes of gate voltage. Also, we reveal the extrinsic size effect in the dependence of the graphene-channel conductivity on its length. We predict that the top-gate–dielectric-layer–graphene-channel–ferroelectric-substrate nanostructure considered here can be a promising candidate for the fabrication of the next generation of modulators and rectifiers based on the graphene p - n junctions.

  18. Ferroelectric InMnO{sub 3}: Growth of single crystals, structure and high-temperature phase transitions

    Energy Technology Data Exchange (ETDEWEB)

    Bekheet, Maged F., E-mail: maged.bekheet@ceramics.tu-berlin.de [Fachbereich Material‐ und Geowissenschaften, Technische Universität Darmstadt, Alarich-Weiss-Straße 2, 64287 Darmstadt (Germany); Fachgebiet Keramische Werkstoffe / Chair of Advanced Ceramic Materials, Institut für Werkstoffwissenschaften und -technologien, Technische Universität Berlin, Hardenbergstraße 40, 10623 Berlin (Germany); Svoboda, Ingrid; Liu, Na [Fachbereich Material‐ und Geowissenschaften, Technische Universität Darmstadt, Alarich-Weiss-Straße 2, 64287 Darmstadt (Germany); Bayarjargal, Lkhamsuren [Institut für Geowissenschaften, Goethe-Universität, Altenhöferallee 1, d-60438 Frankfurt a.M. (Germany); Irran, Elisabeth [Institut für Chemie, Technische Universität Berlin, Straße des 17, Juni 135, 10623 Berlin (Germany); Dietz, Christian; Stark, Robert W.; Riedel, Ralf [Fachbereich Material‐ und Geowissenschaften, Technische Universität Darmstadt, Alarich-Weiss-Straße 2, 64287 Darmstadt (Germany); Gurlo, Aleksander [Fachgebiet Keramische Werkstoffe / Chair of Advanced Ceramic Materials, Institut für Werkstoffwissenschaften und -technologien, Technische Universität Berlin, Hardenbergstraße 40, 10623 Berlin (Germany)

    2016-09-15

    To understand the origin of the ferroelectricity in InMnO{sub 3}, single crystals with average size of 1 mm were grown in PbF{sub 2} flux at 950 °C. The results of single crystal X-ray diffraction, second harmonic generation and piezoresponse force microscopy studies of high-quality InMnO{sub 3} single crystals reveal that the room-temperature state in this material is ferroelectric with P6{sub 3}cm symmetry. The polar InMnO{sub 3} specimen undergoes a reversible phase transition from non-centrosymmetric P6{sub 3}cm structure to a centrosymmetric P6{sub 3}/mmc structure at 700 °C as confirmed by the in situ high-temperature Raman spectroscopic and synchrotron X-ray diffraction experiments. - Graphical abstract: Piezoresponse fore microscopy (PFM) studies of high quality InMnO{sub 3} single crystal revealed that the room-temperature state of this material is ferroelectric with a clear cloverleaf pattern corresponding to six antiphase ferroelectric domains with alternating polarization ±P{sub z}. Display Omitted - Highlights: • InMnO{sub 3} single crystals with average size of 1 mm were grown in PbF{sub 2} flux at 950 °C. • The room-temperature state of InMnO{sub 3} is ferroelectric with polar P6{sub 3}cm structure. • PolarInMnO{sub 3} reversibly transforms to a centrosymmetric P6{sub 3}/mmc structure above 700 °C.

  19. Preparation of Ferroelectric Thin Films of Bismuth Layer Structured Compounds

    Science.gov (United States)

    Watanabe, Hitoshi; Mihara, Takashi; Yoshimori, Hiroyuki; Araujo, Carlos

    1995-09-01

    Ferroelectric thin films of bismuth layer structured compounds, SrBi2Ta2O9, SrBi2Nb2O9, SrBi4Ti4O15 and their solid solutions, were formed onto a sputtered platinum layer on a silicon substrate using spin-on technique and metal-organic decomposition (MOD) method. X-ray diffraction (XRD) analysis and some electrical measurements were performed on the prepared thin films. XRD results of SrBi2(Ta1- x, Nb x)2O9 films (0≤x≤1) showed that niobium ions substitute for tantalum ions in an arbitrary ratio without any change of the layer structure and lattice constants. Furthermore, XRD results of SrBi2 xTa2O9 films (0≤x≤1.5) indicated that the formation of the bismuth layer structure does not always require an accurate bismuth content. The layer structure was formed above 50% of the stoichiometric bismuth content in the general formula. SrBi2(Ta1- x, Nb x)2O9 films with various Ta/Nb ratios have large enough remanent polarization for nonvolatile memory application and have shown high fatigue resistance against 1011 cycles of full switching of the remanent polarization. Mixture films of the three compounds were also investigated.

  20. Determination of the Steady State Leakage Current in Structures with Ferroelectric Ceramic Films

    Science.gov (United States)

    Podgornyi, Yu. V.; Vorotilov, K. A.; Sigov, A. S.

    2018-03-01

    Steady state leakage currents have been investigated in capacitor structures with ferroelectric solgel films of lead zirconate titanate (PZT) formed on silicon substrates with a lower Pt electrode. It is established that Pt/PZT/Hg structures, regardless of the PZT film thickness, are characterized by the presence of a rectifying contact similar to p-n junction. The steady state leakage current in the forward direction increases with a decrease in the film thickness and is determined by the ferroelectric bulk conductivity.

  1. Structural, dielectric and ferroelectric characterization of PZT thin films

    Directory of Open Access Journals (Sweden)

    Araújo E.B.

    1999-01-01

    Full Text Available In this work ferroelectric thin films of PZT were prepared by the oxide precursor method, deposited on Pt/Si substrate. Films of 0.5 mm average thickness were obtained. Electrical and ferroelectric characterization were carried out in these films. The measured value of the dielectric constant for films was 455. Ferroelectricity was confirmed by Capacitance-Voltage (C-V characteristics and P-E hysteresis loops. Remanent polarization for films presented value around 5.0 µC/cm2 and a coercive field of 88.8 kV/cm.

  2. Ferroelectricity driven magnetism at domain walls in LaAlO3/PbTiO3 superlattices

    Science.gov (United States)

    Zhou, P. X.; Dong, S.; Liu, H. M.; Ma, C. Y.; Yan, Z. B.; Zhong, C. G.; Liu, J. -M.

    2015-01-01

    Charge dipole moment and spin moment rarely coexist in single-phase bulk materials except in some multiferroics. Despite the progress in the past decade, for most multiferroics their magnetoelectric performance remains poor due to the intrinsic exclusion between charge dipole and spin moment. As an alternative approach, the oxide heterostructures may evade the intrinsic limits in bulk materials and provide more attractive potential to realize the magnetoelectric functions. Here we perform a first-principles study on LaAlO3/PbTiO3 superlattices. Although neither of the components is magnetic, magnetic moments emerge at the ferroelectric domain walls of PbTiO3 in these superlattices. Such a twist between ferroelectric domain and local magnetic moment, not only manifests an interesting type of multiferroicity, but also is possible useful to pursuit the electrical-control of magnetism in nanoscale heterostructures. PMID:26269322

  3. Identification of defect distribution at ferroelectric domain walls from evolution of nonlinear dielectric response during the aging process

    Czech Academy of Sciences Publication Activity Database

    Mokrý, Pavel; Sluka, T.

    2016-01-01

    Roč. 93, č. 6 (2016), č. článku 064114. ISSN 2469-9950 R&D Projects: GA ČR(CZ) GA14-32228S Institutional support: RVO:61389021 Keywords : Nonlinear dielectric response * ferroelectric domain walls * aging process * phase field simulations Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.836, year: 2016 http://journals.aps.org/prb/abstract/10.1103/PhysRevB.93.064114

  4. Influence of Bias on the Friction Imaging of Ferroelectric Domains in Single Crystal Barium Titanate Energy Storage Materials

    Directory of Open Access Journals (Sweden)

    Lan Chen

    2014-01-01

    Full Text Available The friction imaging of newlycleaved surface domains of single crystal BaTiO3 energy storage materials under both positive and negative voltage bias is investigated by scanning force microscope. When the bias was applied and reversed, three regions with different brightness and contrast in friction image indicated different response to the biases: the friction image of domain A displayed a great change in brightness while domains B and C displayed only a very small change. Possible mechanisms of the interesting phenomena originating from different static force between different charged tip and the periodical array of surface charges inside the inplane domains were proposed. These results provide a new method for the determination of the polarization direction for the domain parallel to the surface and may be useful in the investigation of ferroelectric energy storage materials, especially the relationship between the polarization direction of domain and the bias.

  5. High-pressure structure of Pb-based relaxor ferroelectrics

    Energy Technology Data Exchange (ETDEWEB)

    Maier, Bernd J.; Mihailova, Boriana; Paulmann, Carsten; Welsch, Anna-Maria; Bismayer, Ulrich [Mineralogisch-Petrographisches Institut, Universitaet Hamburg (Germany); Angel, Ross J. [Crystallography Laboratory, Virgina Tech, Blacksburg (United States); Marshall, William G. [ISIS Neutron Facility, STFC Rutherford Appleton Laboratory, Chilton, Didcot, Oxon (United Kingdom); Engel, Jens M. [Institut fuer Werkstoffwissenschaft, Technische Universitaet Dresden (Germany); Gospodinov, Marin [Institute of Solid State Physics, Bulgarian Academy of Sciences, Sofia (Bulgaria); Petrova, Dimitrina [Institute of Solid State Physics, Bulgarian Academy of Sciences, Sofia (Bulgaria); South-West University Neofit Rilski, Blagoevgrad (Bulgaria)

    2010-07-01

    The pressure-induced phase transitions that occur in the perovskite-type relaxor ferroelectric PbSc{sub 0.5}Ta{sub 0.5}O{sub 3} (PST) and Pb{sub 0.78}Ba{sub 0.22}Sc{sub 0.5}Ta{sub 0.5}O{sub 3} (PST-Ba) were studied with combined neutron powder diffraction and single-crystal X-ray diffraction. An increase in the intensities of h,k,l=all odd reflections is observed while the intensity of h,h,h peaks, h=2n+1, does not change with pressure, indicating a glide-plane pseudo-symmetry of the structural distortion along the left angle 111 right angle cubic directions. Rietveld refinement to the neutron powder data shows that the high-pressure phase has either R anti 3c or R anti 3 symmetry, depending on whether the presence of 1:1 octahedral cation ordering is neglected or taken into account, and comprises anti-phase octahedral tilts of type a{sup -}a{sup -}a{sup -} that continuously evolve with pressure.

  6. Charge ordering, ferroelectric, and magnetic domains in LuFe{sub 2}O{sub 4} observed by scanning probe microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Yang, I. K.; Jeong, Y. H., E-mail: yhj@postech.ac.kr [Department of Physics, POSTECH, 77 Cheongam-Ro, Pohang 790-784 (Korea, Republic of); Kim, Jeehoon [Department of Physics, POSTECH, 77 Cheongam-Ro, Pohang 790-784 (Korea, Republic of); CALDES, Institute of Basic Science, 77 Cheongam-Ro, Pohang 790-784 (Korea, Republic of); Lee, S. H. [YE Team, Samsung Electronics, 1 Samsungjeonja-Ro, Hwaseong 445-330 (Korea, Republic of); Cheong, S.-W. [Laboratory of Pohang Emergent Materials, POSTECH, 77 Cheongam-Ro, Pohang 790-784 (Korea, Republic of); Department of Physics and Astronomy, Rutgers University, Piscataway, New Jersey 08854 (United States)

    2015-04-13

    LuFe{sub 2}O{sub 4} is a multiferroic system which exhibits charge order, ferroelectricity, and ferrimagnetism simultaneously below ∼230 K. The ferroelectric/charge order domains of LuFe{sub 2}O{sub 4} are imaged with both piezoresponse force microscopy (PFM) and electrostatic force microscopy (EFM), while the magnetic domains are characterized by magnetic force microscopy (MFM). Comparison of PFM and EFM results suggests that the proposed ferroelectricity in LuFe{sub 2}O{sub 4} is not of usual displacive type but of electronic origin. Simultaneous characterization of ferroelectric/charge order and magnetic domains by EFM and MFM, respectively, on the same surface of LuFe{sub 2}O{sub 4} reveals that both domains have irregular patterns of similar shape, but the length scales are quite different. The domain size is approximately 100 nm for the ferroelectric domains, while the magnetic domain size is much larger and gets as large as 1 μm. We also demonstrate that the origin of the formation of irregular domains in LuFe{sub 2}O{sub 4} is not extrinsic but intrinsic.

  7. Self-assembled domain structures: From micro- to nanoscale

    Directory of Open Access Journals (Sweden)

    Vladimir Shur

    2015-06-01

    Full Text Available The recent achievements in studying the self-assembled evolution of micro- and nanoscale domain structures in uniaxial single crystalline ferroelectrics lithium niobate and lithium tantalate have been reviewed. The results obtained by visualization of static domain patterns and kinetics of the domain structure by different methods from common optical microscopy to more sophisticated scanning probe microscopy, scanning electron microscopy and confocal Raman microscopy, have been discussed. The kinetic approach based on various nucleation processes similar to the first-order phase transition was used for explanation of the domain structure evolution scenarios. The main mechanisms of self-assembling for nonequilibrium switching conditions caused by screening ineffectiveness including correlated nucleation, domain growth anisotropy, and domain–domain interaction have been considered. The formation of variety of self-assembled domain patterns such as fractal-type, finger and web structures, broad domain boundaries, and dendrites have been revealed at each of all five stages of domain structure evolution during polarization reversal. The possible applications of self-assembling for micro- and nanodomain engineering were reviewed briefly. The review covers mostly the results published by our research group.

  8. Magnetic field effect on Gd2(MoO4)3 domain structure formation in the phase transformation range

    International Nuclear Information System (INIS)

    Flerova, S.A.; Tsinman, I.L.

    1987-01-01

    The behaviour of ferroelastic-ferroelectric domain structure of gadolinium molybdate crystal (GMO)during its formation in the magnetic field in the vicinity of phase transformation is studied.It is shown that the formation of domain structure in the presence of a temperature gradient occurs in the field of mechanical stresses whose mainly stretching effect is concentrated near phase boundaries.The magnetic field intensifies summary mechanical stresses where a domain structure in a ferroelectric phase is formed due to interaction with the elements of inhomogeneous and differently oriented currents near phase boundaries

  9. Structural, magnetic and electrical properties of ferromagnetic/ferroelectric multilayers

    International Nuclear Information System (INIS)

    Sirena, M.; Kaul, E.; Guimpel, J.; Steren, L. B.; Pedreros, M. B.; Rodriguez, C. A.

    2011-01-01

    The La 0.75 Sr 0.25 MnO 3 (LSMO)/Ba 0.7 Sr 0.3 TiO 3 (BSTO) superlattices and bilayers, where LSMO is ferromagnetic and BSTO is ferroelectric, were grown by dc sputtering. X-ray diffraction indicates that the samples present a textured growth with the c axis perpendicular to the substrate. Magnetization measurements show a decrease of the sample's magnetization for decreasing ferromagnetic thickness. This effect could be related to the presence of biaxial strain and a magnetic dead layer in the samples. Conductive atomic force microscopy indicates that the samples present a total covering of the ferromagnetic layer for a ferroelectric thickness higher than four unit cells. Transport tunneling of the carriers seems to be the preferred conduction mechanism through the ferroelectric layer. These are promising results for the development of multiferroic tunnel junctions.

  10. Relaxor-based ferroelectric single crystals: growth, domain engineering, characterization and applications

    Science.gov (United States)

    Sun, Enwei; Cao, Wenwu

    2014-01-01

    In the past decade, domain engineered relaxor-PT ferroelectric single crystals, including (1-x)Pb(Mg1/3Nb2/3)O3-xPbTiO3 (PMN-PT), (1-x)Pb(Zn1/3Nb2/3)O3-xPbTiO3 (PZN-PT) and (1-x-y)Pb(In1/2Nb1/2)O3-yPb(Mg1/3Nb2/3)O3-xPbTiO3 (PIN-PMN-PT), with compositions near the morphotropic phase boundary (MPB) have triggered a revolution in electromechanical devices owing to their giant piezoelectric properties and ultra-high electromechanical coupling factors. Compared to traditional PbZr1-xTixO3 (PZT) ceramics, the piezoelectric coefficient d33 is increased by a factor of 5 and the electromechanical coupling factor k33 is increased from 90%. Many emerging rich physical phenomena, such as charged domain walls, multi-phase coexistence, domain pattern symmetries, etc., have posed challenging fundamental questions for scientists. The superior electromechanical properties of these domain engineered single crystals have prompted the design of a new generation electromechanical devices, including sensors, transducers, actuators and other electromechanical devices, with greatly improved performance. It took less than 7 years from the discovery of larger size PMN-PT single crystals to the commercial production of the high-end ultrasonic imaging probe “PureWave”. The speed of development is unprecedented, and the research collaboration between academia and industrial engineers on this topic is truly intriguing. It is also exciting to see that these relaxor-PT single crystals are being used to replace traditional PZT piezoceramics in many new fields outside of medical imaging. The new ternary PIN-PMN-PT single crystals, particularly the ones with Mn-doping, have laid a solid foundation for innovations in high power acoustic projectors and ultrasonic motors, hinting another revolution in underwater SONARs and miniature actuation devices. This article intends to provide a comprehensive review on the development of relaxor-PT single crystals, spanning material discovery, crystal growth

  11. Structures composing protein domains.

    Science.gov (United States)

    Kubrycht, Jaroslav; Sigler, Karel; Souček, Pavel; Hudeček, Jiří

    2013-08-01

    This review summarizes available data concerning intradomain structures (IS) such as functionally important amino acid residues, short linear motifs, conserved or disordered regions, peptide repeats, broadly occurring secondary structures or folds, etc. IS form structural features (units or elements) necessary for interactions with proteins or non-peptidic ligands, enzyme reactions and some structural properties of proteins. These features have often been related to a single structural level (e.g. primary structure) mostly requiring certain structural context of other levels (e.g. secondary structures or supersecondary folds) as follows also from some examples reported or demonstrated here. In addition, we deal with some functionally important dynamic properties of IS (e.g. flexibility and different forms of accessibility), and more special dynamic changes of IS during enzyme reactions and allosteric regulation. Selected notes concern also some experimental methods, still more necessary tools of bioinformatic processing and clinically interesting relationships. Copyright © 2013 Elsevier Masson SAS. All rights reserved.

  12. Strain-induced structural, magnetic and ferroelectric properties of ...

    Indian Academy of Sciences (India)

    2017-07-25

    Jul 25, 2017 ... deposited on the composite film surface by DC sputtering techniques. The magnetic measurements of these composite films were performed using a vibratory sample magnetometer. (VSM). Ferroelectric properties of films were measured using a Precision multiferroic analyser. All measurements were per-.

  13. On the Structural and Electrical Properties of Metal-Ferroelectric ...

    Indian Academy of Sciences (India)

    6

    Click here to view linked References. 1 ... memory applications due to their unique electrical properties [1-2]. ... considerable attention for their application as the gate material for MFeIS ... and precisely controlled for a particular ferroelectric layer. ..... leading to decrease in the net polarization and memory retention capacity.

  14. Study of mechanically stimulated ferroelectric domain formation using scanning probe microscope

    Energy Technology Data Exchange (ETDEWEB)

    Kim, J H; Baek, J; Khim, Z G [School of Physics and Nano-Systems Institute, Seoul National University, Seoul 151-747 (Korea, Republic of)

    2007-03-15

    The stress-related ferroelectric properties have been studied on the Triglycine sulfate (TGS) by scanning probe microscope (SPM). Together with normal stress of the tip, the lateral stress is applied to the sample with piezoelectric transducers. With this study, we characterized the way the ferroelectricity of TGS responds to the axis-specific stress. Specially, the b-directional stress applicable to the surface can amount to several GPa such that the polarization switching by mechanical stress is observable. Although the lateral stress is not strong enough to view such phenomena, a-axis(c-axis) stress still affects the polarization value so as to fortify (lessen) the electric field inside, respectively. These contrasting results can be explained by the sign relation of piezo-coefficients about the individual axis. This work can be a touchstone of future researches in characterizing the electromechanical properties of more popular ferroelectrics such as PZT or BTO.

  15. Sequential injection of domain walls into ferroelectrics at different bias voltages: Paving the way for “domain wall memristors”

    Energy Technology Data Exchange (ETDEWEB)

    Whyte, J. R.; McQuaid, R. G. P.; Einsle, J. F.; Gregg, J. M., E-mail: m.gregg@qub.ac.uk [Centre for Nanostructured Media (CNM), School of Maths and Physics, Queen' s University Belfast, University Road, Belfast BT7 1NN (United Kingdom); Ashcroft, C. M. [Centre for Nanostructured Media (CNM), School of Maths and Physics, Queen' s University Belfast, University Road, Belfast BT7 1NN (United Kingdom); Department of Physics, Cavendish Laboratory, J. J. Thomson Avenue, Cambridge CB3 0HE (United Kingdom); Canalias, C. [Department of Applied Physics, Royal Institute of Technology, Roslagstullsbacken 21, 10691 Stockholm (Sweden); Gruverman, A. [Department of Physics and Astronomy, University of Nebraska Lincoln, Nebraska 68588–0299 (United States)

    2014-08-14

    Simple meso-scale capacitor structures have been made by incorporating thin (∼300 nm) single crystal lamellae of KTiOPO{sub 4} (KTP) between two coplanar Pt electrodes. The influence that either patterned protrusions in the electrodes or focused ion beam milled holes in the KTP have on the nucleation of reverse domains during switching was mapped using piezoresponse force microscopy imaging. The objective was to assess whether or not variations in the magnitude of field enhancement at localised “hot-spots,” caused by such patterning, could be used to both control the exact locations and bias voltages at which nucleation events occurred. It was found that both the patterning of electrodes and the milling of various hole geometries into the KTP could allow controlled sequential injection of domain wall pairs at different bias voltages; this capability could have implications for the design and operation of domain wall electronic devices, such as memristors, in the future.

  16. Near-field terahertz imaging of ferroelectric domains in barium titanate

    Czech Academy of Sciences Publication Activity Database

    Berta, Milan; Kadlec, Filip

    2010-01-01

    Roč. 83, 10-11 (2010), 985-993 ISSN 0141-1594 R&D Projects: GA MŠk LC512 Institutional research plan: CEZ:AV0Z10100520 Keywords : singular value decomposition * domain structure imaging * near-field terahertz microscopy * subwavelength resolution Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.006, year: 2010

  17. Self-templated synthesis of single-crystal and single-domain ferroelectric nanoplates

    KAUST Repository

    Chao, Chunying; Ren, Zhaohui; Zhu, Yihan; Xiao, Zhen; Liu, Zhenya; Xú , Gang; Mai, Jiangquan; Li, Xiang; Shen, Ge; Han, Gaorong

    2012-01-01

    Free-standing single-crystal PbTiO 3 nanoplates (see picture) were synthesized by a facile hydrothermal method. A "self-templated" crystal growth is presumed to lead to the formation of the PbTiO 3 nanoplates, which have ferroelectric single

  18. Structural contribution to the ferroelectric fatigue in lead zirconate titanate ceramics

    Science.gov (United States)

    Hinterstein, M.; Rouquette, J.; Haines, J.; Papet, Ph.; Glaum, J.; Knapp, M.; Eckert, J.; Hoffman, M.

    2014-09-01

    Many ferroelectric devices are based on doped lead zirconate titanate (PZT) ceramics with compositions near the morphotropic phase boundary (MPB), at which the relevant material's properties approach their maximum. Based on a synchrotron x-ray diffraction study of MPB PZT, bulk fatigue is unambiguously found to arise from a less effective field induced tetragonal-to-monoclinic transformation, at which the degradation of the polarization flipping is detected by a less intense and more diffuse anomaly in the atomic displacement parameter of lead. The time dependence of the ferroelectric response on a structural level down to 250 μs confirms this interpretation in the time scale of the piezolectric strain response.

  19. The structure of new germanates, gallates, borates and silicates with laser, piezo, ferroelectric and ion conducting properties

    International Nuclear Information System (INIS)

    Belokonev, E.L.

    1994-01-01

    The results of structure investigation of more than 50 new crystalline germanates, gallates, borogermanates, borates, and silicates with laser, piezo, ferroelectric, and ion-conducting properties are described. The structure - properties relationship is examined. 71 refs.; 24 figs.; 10 tabs

  20. Effect of top electrode material on radiation-induced degradation of ferroelectric thin film structures

    Energy Technology Data Exchange (ETDEWEB)

    Brewer, Steven J.; Bassiri-Gharb, Nazanin [G.W. Woodruff School of Mechanical Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332 (United States); School of Materials Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332 (United States); Deng, Carmen Z.; Callaway, Connor P. [School of Materials Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332 (United States); Paul, McKinley K. [G.W. Woodruff School of Mechanical Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332 (United States); Woodward Academy, College Park, Georgia 30337 (United States); Fisher, Kenzie J. [G.W. Woodruff School of Mechanical Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332 (United States); Riverwood International Charter School, Atlanta, Georgia 30328 (United States); Guerrier, Jonathon E.; Jones, Jacob L. [Department of Materials Science and Engineering, North Carolina State University, Raleigh, North Carolina 27695 (United States); Rudy, Ryan Q.; Polcawich, Ronald G. [Army Research Laboratory, Adelphi, Maryland 20783 (United States); Glaser, Evan R.; Cress, Cory D. [Naval Research Laboratory, Washington, DC 20375 (United States)

    2016-07-14

    The effects of gamma irradiation on the dielectric and piezoelectric responses of Pb[Zr{sub 0.52}Ti{sub 0.48}]O{sub 3} (PZT) thin film stacks were investigated for structures with conductive oxide (IrO{sub 2}) and metallic (Pt) top electrodes. The samples showed, generally, degradation of various key dielectric, ferroelectric, and electromechanical responses when exposed to 2.5 Mrad (Si) {sup 60}Co gamma radiation. However, the low-field, relative dielectric permittivity, ε{sub r}, remained largely unaffected by irradiation in samples with both types of electrodes. Samples with Pt top electrodes showed substantial degradation of the remanent polarization and overall piezoelectric response, as well as pinching of the polarization hysteresis curves and creation of multiple peaks in the permittivity-electric field curves post irradiation. The samples with oxide electrodes, however, were largely impervious to the same radiation dose, with less than 5% change in any of the functional characteristics. The results suggest a radiation-induced change in the defect population or defect energy in PZT with metallic top electrodes, which substantially affects motion of internal interfaces such as domain walls. Additionally, the differences observed for stacks with different electrode materials implicate the ferroelectric–electrode interface as either the predominant source of radiation-induced effects (Pt electrodes) or the site of healing for radiation-induced defects (IrO{sub 2} electrodes).

  1. Graphene-based hybrid structures combined with functional materials of ferroelectrics and semiconductors.

    Science.gov (United States)

    Jie, Wenjing; Hao, Jianhua

    2014-06-21

    Fundamental studies and applications of 2-dimensional (2D) graphene may be deepened and broadened via combining graphene sheets with various functional materials, which have been extended from the traditional insulator of SiO2 to a versatile range of dielectrics, semiconductors and metals, as well as organic compounds. Among them, ferroelectric materials have received much attention due to their unique ferroelectric polarization. As a result, many attractive characteristics can be shown in graphene/ferroelectric hybrid systems. On the other hand, graphene can be integrated with conventional semiconductors and some newly-discovered 2D layered materials to form distinct Schottky junctions, yielding fascinating behaviours and exhibiting the potential for various applications in future functional devices. This review article is an attempt to illustrate the most recent progress in the fabrication, operation principle, characterization, and promising applications of graphene-based hybrid structures combined with various functional materials, ranging from ferroelectrics to semiconductors. We focus on mechanically exfoliated and chemical-vapor-deposited graphene sheets integrated in numerous advanced devices. Some typical hybrid structures have been highlighted, aiming at potential applications in non-volatile memories, transparent flexible electrodes, solar cells, photodetectors, and so on.

  2. Critical dynamics and domain motion from permittivity of the electronic ferroelectric (TMTTF){sub 2}AsF{sub 6}

    Energy Technology Data Exchange (ETDEWEB)

    Brazovskii, Serguei, E-mail: brazov@lptms.u-psud.fr [LPTMS, UMR8626, CNRS & University Paris-Sud, Bat. 100, Orsay F-91405 (France); International Institute of Physics, 59078-400 Natal, Rio Grande do Norte (Brazil); Monceau, Pierre [CNRS & University Grenoble Alpes, Institute NEEL, F-38042 Grenoble (France); Nad, Felix Ya.

    2015-03-01

    The quasi one-dimensional organic conductor (TMTTF){sub 2}AsF{sub 6} shows the charge ordering transition at T{sub CO}=101 K to a state of the ferroelectric Mott insulator which is still well conducting. We present and interpret the experimental data on the gigantic dielectric response in the vicinity of T{sub CO}, concentrating on the frequency dependence of the inverse 1/ε of the complex permittivity ε=ε′+iε′′. Surprisingly for a ferroelectric, we could closely approach the 2nd order phase transition and to deeply reach the critical dynamics of the polarization. We could analyze the critical slowing-down when approaching T{sub CO} from both sides and to extract the anomalous power law for the frequency dependence of the order parameter viscosity. Moreover, below T{sub CO} we could extract a sharp absorption feature coming from a motion of domain walls which shows up at a frequency well below the relaxation rate.

  3. Self-ordering of nontrivial topological polarization structures in nanoporous ferroelectrics.

    Science.gov (United States)

    Van Lich, Le; Shimada, Takahiro; Wang, Jie; Kitamura, Takayuki

    2017-10-19

    Topological field structures, such as skyrmions, merons, and vortices, are important features found in ordered systems with spontaneously broken symmetry. A plethora of topological field structures have been discovered in magnetic and ordered soft matter systems due to the presence of inherent chiral interactions, and this has provided a fruitful platform for unearthing additional groundbreaking functionalities. However, despite being one of the most important classes of ordered systems, ferroelectrics scarcely form topological polarization structures due to their lack of intrinsic chiral interactions. In the present study, we demonstrate using multiphysics phase-field modelling based on the Ginzburg-Landau theory that a rich assortment of nontrivial topological polarization structures, including hedgehogs, antivortices, multidirectional vortices, and vortex arrays, can be spontaneously formed in three-dimensional nanoporous ferroelectric structures. We realize that confining ferroelectrics to trivial geometries that are incompatible with the orientation symmetry may impose extrinsic frustration to the polarization field through the enhancement of depolarization fields at free porous surfaces. This frustration gives rise to symmetry breaking, resulting in the formation of nontrivial topological polarization structures as the ground state. We further topologically characterize the local accommodation of polarization structures by viewing them in a new perspective, in which polarization ordering can be mapped on the order parameter space, according to the topological theory of defects and homotopy theory. The results indicate that the nanoporous structures contain composite topological objects composed of two or more elementary topological polarization structures. The present study therefore offers a playground for exploring novel physical phenomena in ferroelectric systems as well as a novel nanoelectronics characterization platform for future topology

  4. Low-temperature synthesis and structural properties of ferroelectric K 3WO 3F 3 elpasolite

    Science.gov (United States)

    Atuchin, V. V.; Gavrilova, T. A.; Kesler, V. G.; Molokeev, M. S.; Aleksandrov, K. S.

    2010-06-01

    Low-temperature ferroelectric G2 polymorph of K 3WO 3F 3 has been prepared by chemical synthesis. Structural and chemical properties of the final product have been evaluated with X-ray powder diffraction (XRD), scanning electron microscopy (SEM) and X-ray photoelectron spectroscopy (XPS). Structure parameters of G2-K 3WO 3F 3 are refined by the Rietveld method from XRD data measured at room temperature (space group Cm, Z = 2, a = 8.7350(3) Å, b = 8.6808(5) Å, c = 6.1581(3) Å, β = 135.124(3) Å, V = 329.46(3) Å 3; RB = 2.47%). Partial ordering of oxygen and fluorine atoms has been found over anion positions. Mechanism of ferroelectric phase transition in A 2BMO 3F 3 oxyfluorides is discussed.

  5. Hot plate annealing at a low temperature of a thin ferroelectric P(VDF-TrFE) film with an improved crystalline structure for sensors and actuators.

    Science.gov (United States)

    Mahdi, Rahman Ismael; Gan, W C; Abd Majid, W H

    2014-10-14

    Ferroelectric poly(vinylidene fluoride-trifluoroethylene) (P(VDF-TrFE)) copolymer 70/30 thin films are prepared by spin coating. The crystalline structure of these films is investigated by varying the annealing temperature from the ferroelectric phase to the paraelectric phase. A hot plate was used to produce a direct and an efficient annealing effect on the thin film. The dielectric, ferroelectric and pyroelectric properties of the P(VDF-TrFE) thin films are measured as a function of different annealing temperatures (80 to 140 °C). It was found that an annealing temperature of 100 °C (slightly above the Curie temperature, Tc) has induced a highly crystalline β phase with a rod-like crystal structure, as examined by X-ray. Such a crystal structure yields a high remanent polarization, Pr = 94 mC/m2, and pyroelectric constant, p = 24 μC/m2K. A higher annealing temperature exhibits an elongated needle-like crystal domain, resulting in a decrease in the crystalline structure and the functional electrical properties. This study revealed that highly crystalline P(VDF-TrFE) thin films could be induced at 100 °C by annealing the thin film with a simple and cheap method.

  6. Ferroelectric Polarization Switching Dynamics and Domain Growth of Triglycine Sulfate and Imidazolium Perchlorate

    KAUST Repository

    Ma, He; Gao, Wenxiu; Wang, Junling; Wu, Tao; Yuan, Guoliang; Liu, Junming; Liu, Zhiguo

    2016-01-01

    The weak bond energy and large anisotropic domain wall energy induce many special characteristics of the domain nucleation, growth, and polarization switch in triglycine sulfate (TGS) and imidazolium perchlorate (IM), two typical molecular

  7. Photorefractive effects in ferroelectrics as manifestation of structural violations on mesoscales

    CERN Document Server

    Kanaev, I F

    1998-01-01

    The nature of violations in ferroelectric structures that lead to the emergence of direct photocurrents without application of external fields is discussed. We suppose that the main role in transfer processes and photovoltaic effect $9 emergence belongs to macro- and meso-scopic inhomogeneities of the crystal. The boundaries between fairly perfect crystallites have the size of several constants of the crystal lattice and strongly changes the group (pyro-, piezo-, $9 and ferroelectric) properties of the crystal. The presence of inhomogeneities and local electric fields in them determines the charge transfer mechanism: affected by light, the electrons are generated in discretely distributed defect $9 regions and transported from one inhomogeneity to another taking into account the magnitude and sign of the held. In the framework of new concepts, experimental data on recording of the shifted and nonshifted holograms in LiNbO /sub $9 3/ crystals are analyzed. (8 refs).

  8. Synthesis and ferroelectric properties of rare earth compounds with tungsten bronze-type structure

    Energy Technology Data Exchange (ETDEWEB)

    Bouziane, M., E-mail: bouzianemeryem@yahoo.fr [Laboratoire de Chimie du Solide Appliquee, Faculte des Sciences, Avenue Ibn Batouta, BP 1014, Rabat (Morocco); Taibi, M. [Laboratoire de Physico-Chimie des Materiaux, LAF 502, Ecole Normale Superieure, BP 5118, Rabat (Morocco); Boukhari, A. [Laboratoire de Chimie du Solide Appliquee, Faculte des Sciences, Avenue Ibn Batouta, BP 1014, Rabat (Morocco)

    2011-10-03

    Highlights: {center_dot} Polycrystalline materials with the tungsten bronze-type structure have been synthesized and characterized. {center_dot} Effect of the incorporation of rare earth ions and paramagnetic cations (Fe{sup 3+}) into a matrix ferroelectrically active was studied. {center_dot} Ferroelectric transition is pronounced by a large thermal hysteresis during the heating and cooling cycles. {center_dot} Phase transitions around T{sub c} were confirmed by differential scanning calorimetry (DSC) measurements. - Abstract: Polycrystalline materials with a general formula Pb{sub 2}Na{sub 0.8}R{sub 0.2}Nb{sub 4.8}Fe{sub 0.2}O{sub 15} (R = Dy, Eu, Sm, Nd, La) have been synthesized, in air by a high temperature solid state reaction method. X-ray diffraction study, at room temperature, revealed that they crystallize in the tungsten bronze-type structure. Dielectric properties were performed, in the temperature range 25-500 deg. C, at three different frequencies 10, 100 and 1000 kHz. The ferroelectric transition is pronounced by a large thermal hysteresis during the heating and cooling cycles. The determined Curie temperature values T{sub c} were discussed as a function of rare earth size. Phase transitions around T{sub c} for the investigated compounds were confirmed by differential scanning calorimetry (DSC) measurements.

  9. Experimental studies on the nonlinear dynamics of ferroelectric thin films and layered ferroelectricum/semiconductor structures in oscillating systems

    International Nuclear Information System (INIS)

    Barz, Kay

    2010-01-01

    In this work experimental techniques for characterization of ferroelectric nm-thin films and ferroelectric/semiconductor structures by means of nonlinear phenomena are discussed. The thin film sample is applied in a series resonant circuit. By recording time series data and amplitude-frequency-characteristics (resonance frequency shift), the nonlinear behavior can be analyzed with respect to the theoretical aspects of these effects in the framework of nonlinear dynamics. The evolving ferroelectric hysteresis is represented by the amplitude-frequency-characteristic in a very detailed form. Interpretations are presented on how transient alterations like fatigue or retention loss, affect the amplitude-frequency-characteristics. Time series analysis allows to separate the specific influence of the nonlinear components and their corresponding time constants. The work closes with suggestions for a systematic application of the presented techniques for an extended characterization of ferroelectric thin films. (orig.)

  10. Disparity of secondary electron emission in ferroelectric domains of YMnO{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Cheng, Shaobo; Deng, S. Q.; Yuan, Wenjuan; Yan, Yunjie; Zhu, Jing, E-mail: jzhu@tsinghua.edu.cn [National Center for Electron Microscopy in Beijing, School of Materials Science and Engineering, The State Key Laboratory of Ceramics and Fine Processing, Key Laboratory of Advanced Materials (MOE), Tsinghua University, Beijing 100084 (China); Li, J.; Li, J. Q. [Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China)

    2015-07-20

    The applications of multiferroic materials require our understanding about the behaviors of domains with different polarization directions. Taking advantage of the scanning electron microscope, we investigate the polar surface of single crystal YMnO{sub 3} sample in secondary electron (SE) mode. By slowing down the scanning speed of electron beam, the negative surface potential of YMnO{sub 3} can be realized, and the domain contrast can be correspondingly changed. Under this experimental condition, with the help of a homemade Faraday cup, the difference of intrinsic SE emission coefficients of antiparallel domains is measured to be 0.12 and the downward polarization domains show a larger SE emission ability. Our results indicate that the total SE emission of this material can be altered by changing the ratio of the antiparallel domains, which provide an avenue for device design with this kind of materials.

  11. Anelastic deformation of Pb(Zr,Ti)O3 thin films by non-180 deg. ferroelectric domain wall movements during nanoindentation

    International Nuclear Information System (INIS)

    Alguero, M.; Bushby, A.J.; Reece, M.J.; Seifert, A.

    2002-01-01

    Lead zirconate titanate Pb(Zr,Ti)O 3 ferroelectric thin films show significant anelastic deformation when indented with spherical tipped indenters. Experiments on films with different Zr/Ti ratio and a mixed , preferred crystallographic orientation have shown that there is a good agreement between the anelastic deformation and the maximum strain achievable by non-180 deg. domain wall movement. An expected increase of the indentation stiffness of the films also accompanies the anelastic deformation because of the single crystal elastic anisotropy. All these observations seem to indicate that non-180 deg. ferroelectric domain wall movements occur under indentation stresses and cause anelasticity. Stresses for maximum anelastic deformation are compared with those for recently reported stress-induced depolarization

  12. Raman analysis of ferroelectric switching in niobium-doped lead zirconate titanate thin films

    International Nuclear Information System (INIS)

    Ferrari, P.; Ramos-Moore, E.; Guitar, M.A.; Cabrera, A.L.

    2014-01-01

    Characteristic Raman vibration modes of niobium-doped lead zirconate titanate (PNZT) are studied as a function of ferroelectric domain switching. The microstructure of PNZT is characterized by scanning electron microscopy and X-ray diffraction. Ferroelectric switching is achieved by applying voltages between the top (Au) and bottom (Pt) electrodes, while acquiring the Raman spectra in situ. Vibrational active modes associated with paraelectric and ferroelectric phases are identified after measuring above and below the ferroelectric Curie temperature, respectively. Changes in the relative intensities of the Raman peaks are observed as a function of the switching voltage. The peak area associated with the ferroelectric modes is analyzed as a function of the applied voltage within one ferroelectric polarization loop, showing local maxima around the coercive voltage. This behavior can be understood in terms of the correlation between vibrational and structural properties, since ferroelectric switching modifies the interaction between the body-centered atom (Zr, Ti or Nb) and the Pb–O lattice. - Highlights: • Electric fields induce structural distortions on ferroelectric perovskites. • Ferroelectric capacitor was fabricated to perform hysteresis loops. • Raman analysis was performed in situ during ferroelectric switching. • Raman modes show hysteresis and inflections around the coercive voltages. • Data can be understood in terms of vibrational–structural correlations

  13. A micromagnetic study of domain structure modeling

    International Nuclear Information System (INIS)

    Matsuo, Tetsuji; Mimuro, Naoki; Shimasaki, Masaaki

    2008-01-01

    To develop a mesoscopic model for magnetic-domain behavior, a domain structure model (DSM) was examined and compared with a micromagnetic simulation. The domain structure of this model is given by several domains with uniform magnetization vectors and domain walls. The directions of magnetization vectors and the locations of domain walls are determined so as to minimize the magnetic total energy of the magnetic material. The DSM was modified to improve its representation capability for domain behavior. The domain wall energy is multiplied by a vanishing factor to represent the disappearance of magnetic domain. The sequential quadratic programming procedure is divided into two steps to improve an energy minimization process. A comparison with micromagnetic simulation shows that the modified DSM improves the representation accuracy of the magnetization process

  14. Divergence of dielectric permittivity near phase transition within ferroelectric domain boundaries

    Czech Academy of Sciences Publication Activity Database

    Márton, Pavel; Stepkova, Vilgelmina; Hlinka, Jiří

    2013-01-01

    Roč. 86, č. 1 (2013), s. 103-108 ISSN 0141-1594 R&D Projects: GA ČR GAP204/10/0616 Institutional support: RVO:68378271 Keywords : Bloch wall * domain boundary * BaTiO 3 * Ginzburg-Landau-Devonshire theory * permittivity Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.044, year: 2013

  15. Metal-induced gap states in ferroelectric capacitors and its relationship with complex band structures

    Science.gov (United States)

    Junquera, Javier; Aguado-Puente, Pablo

    2013-03-01

    At metal-isulator interfaces, the metallic wave functions with an energy eigenvalue within the band gap decay exponentially inside the dielectric (metal-induced gap states, MIGS). These MIGS can be actually regarded as Bloch functions with an associated complex wave vector. Usually only real values of the wave vectors are discussed in text books, since infinite periodicity is assumed and, in that situation, wave functions growing exponentially in any direction would not be physically valid. However, localized wave functions with an exponential decay are indeed perfectly valid solution of the Schrodinger equation in the presence of defects, surfaces or interfaces. For this reason, properties of MIGS have been typically discussed in terms of the complex band structure of bulk materials. The probable dependence on the interface particulars has been rarely taken into account explicitly due to the difficulties to include them into the model or simulations. We aim to characterize from first-principles simulations the MIGS in realistic ferroelectric capacitors and their connection with the complex band structure of the ferroelectric material. We emphasize the influence of the real interface beyond the complex band structure of bulk materials. Financial support provided by MICINN Grant FIS2009-12721-C04-02, and by the European Union Grant No. CP-FP 228989-2 ``OxIDes''. Computer resources provided by the RES.

  16. Fractal model of polarization switching kinetics in ferroelectrics under nonequilibrium conditions of electron irradiation

    Science.gov (United States)

    Maslovskaya, A. G.; Barabash, T. K.

    2018-03-01

    The paper presents the results of the fractal and multifractal analysis of polarization switching current in ferroelectrics under electron irradiation, which allows statistical memory effects to be estimated at dynamics of domain structure. The mathematical model of formation of electron beam-induced polarization current in ferroelectrics was suggested taking into account the fractal nature of domain structure dynamics. In order to realize the model the computational scheme was constructed using the numerical solution approximation of fractional differential equation. Evidences of electron beam-induced polarization switching process in ferroelectrics were specified at a variation of control model parameters.

  17. Crystal Structure and Ferroelectric Properties of ε-Ga2O3 Films Grown on (0001)-Sapphire.

    Science.gov (United States)

    Mezzadri, Francesco; Calestani, Gianluca; Boschi, Francesco; Delmonte, Davide; Bosi, Matteo; Fornari, Roberto

    2016-11-21

    The crystal structure and ferroelectric properties of ε-Ga 2 O 3 deposited by low-temperature MOCVD on (0001)-sapphire were investigated by single-crystal X-ray diffraction and the dynamic hysteresis measurement technique. A thorough investigation of this relatively unknown polymorph of Ga 2 O 3 showed that it is composed of layers of both octahedrally and tetrahedrally coordinated Ga 3+ sites, which appear to be occupied with a 66% probability. The refinement of the crystal structure in the noncentrosymmetric space group P6 3 mc pointed out the presence of uncompensated electrical dipoles suggesting ferroelectric properties, which were finally demonstrated by independent measurements of the ferroelectric hysteresis. A clear epitaxial relation is observed with respect to the c-oriented sapphire substrate, with the Ga 2 O 3 [10-10] direction being parallel to the Al 2 O 3 direction [11-20], yielding a lattice mismatch of about 4.1%.

  18. The effect of phase assemblages, grain boundaries and domain structure on the local switching behavior of rare-earth modified bismuth ferrite ceramics

    International Nuclear Information System (INIS)

    Alikin, Denis O.; Turygin, Anton P.; Walker, Julian; Bencan, Andreja; Malic, Barbara; Rojac, Tadej; Shur, Vladimir Ya.; Kholkin, Andrei L.

    2017-01-01

    Piezoelectric properties and ferroelectric/ferroelastic domain switching behavior of polycrystalline ceramics are strongly influenced by local scale (i.e. <100 nm) phenomena, such as, the phase assemblages, domain structure, and defects. The method of ceramic synthesis strongly effects the local properties and thus plays a critical role in determining the macroscopic ferroelectric and piezoelectric performance. The link between synthesis and local scale properties of ferroelectrics is, however, rarely reported, especially for the emerging lead-free materials systems. In this work, we focus on samarium modified bismuth ferrite ceramics (Bi_0_._8_8Sm_0_._1_2FeO_3, BSFO) prepared by two methods: standard solid state reaction (SSR) and mechanochemi≿ally assisted synthesis (MAS). Each ceramic possesses different properties at the local scale and we used the piezoresponse force microscopy (PFM) complemented by transmission electron microscopy (TEM) to evaluate phase distribution, domain structure and polarization switching to show that an increase in the anti-polar phase assemblages within the polar matrix leads to notable changes in the local polarization switching. SSR ceramics exhibit larger internal bias fields relative to the MAS ceramics, and the grain boundaries produce a stronger effect on the local switching response. MAS ceramics were able to nucleate domains at lower electric-fields and grow them at faster rates, reaching larger final domain sizes than the SSR ceramics. Local evidence of the electric-field induced phase transition from the anti-ferroelectric Pbam to ferroelectric R3c phase was observed together with likely evidence of the existence of head-to-head/tail-to-tail charged domain walls and domain vortex core structures. By comparing the domain structure and local switching behavior of ceramics prepared by two different methods this work brings new insights the synthesis-structure-property relationship in lead-free piezoceramics.

  19. Domain configuration changes under electric field-induced antiferroelectric-ferroelectric phase transitions in NaNbO3-based ceramics

    International Nuclear Information System (INIS)

    Guo, Hanzheng; Randall, Clive A.; Shimizu, Hiroyuki; Mizuno, Youichi

    2015-01-01

    We recently developed a feasible crystal chemistry strategy to stabilize the antiferroelectricity in NaNbO 3 through a chemical substitution to decrease the tolerance factor and increase the average electronegativity of the system [Shimizu et al., Dalton Trans. 44, 10763 (2015) and Guo et al., J. Appl. Phys. 117, 214103 (2015)]. Two novel lead-free antiferroelectric (AFE) solid solutions, (1-x)NaNbO 3 -xCaZrO 3 and (1-x)NaNbO 3 -xSrZrO 3 , have been found to exhibit the double polarization hysteresis typical of a reversible AFE ↔ ferroelectric (FE) phase transition. In this study, as demonstrated by (1-x)NaNbO 3 -xCaZrO 3 system, the influence of chemical modification and electrical poling on the AFE/FE phase stability was investigated, primarily focusing on the microstructural and crystallographic evolutions. Together with the macroscopic polarization hysteresis measurements, a well-demonstrated structure-property relationship was presented. It was found that the CaZrO 3 substitution into NaNbO 3 can effectively destabilize the FE Q phase and correspondingly lead to a spontaneous reverting to AFE P phase. In contrast to the reversible AFE ↔ FE phase transition, the domain morphology evolution exhibits irreversible nature with a growing process of the orientational domains after applying electric field. Moreover, a multiple-zone axes electron diffraction map of P and Q phases has been summarized and is believed to be an efficient diagram to determine the AFE/FE nature of the NaNbO 3 -based systems

  20. Structure and electronic properties of graphene on ferroelectric LiNbO{sub 3} surface

    Energy Technology Data Exchange (ETDEWEB)

    Ding, Jun, E-mail: dingjun@haue.edu.cn [College of Science, Henan University of Engineering, Zhengzhou 451191 (China); Wen, LiWei; Li, HaiDong [College of Science, Henan University of Engineering, Zhengzhou 451191 (China); Zhang, Ying, E-mail: yingzhang@bnu.edu.cn [Department of Physics, Beijing Normal University, Beijing 100875 (China)

    2017-05-25

    Highlights: • Interface structure of graphene on O terminated LiNbO{sub 3} surface. • Asymmetry gap around Dirac point. • Berry phase calculations confirm a valley Hall effect. - Abstract: We investigate the structural and electronic properties of graphene on the O terminated LiNbO{sub 3}(001) surface by density functional theory simulations. We observe that the first graphene layer is covalent bonded with the surface O atoms and buckles a lot. While considering second layer graphene upon the first layer, it almost recovers the planar structure and the interface interaction breaks the AB sublattice symmetry which leads to a valley Hall effect. Our results reveal the interface structure of graphene-ferroelectric heterostructure and provide the way for valleytronic applications with graphene.

  1. Interrelationship between flexoelectricity and strain gradient elasticity in ferroelectric nanofilms: A phase field study

    Science.gov (United States)

    Jiang, Limei; Xu, Xiaofei; Zhou, Yichun

    2016-12-01

    With the development of the integrated circuit technology and decreasing of the device size, ferroelectric films used in nano ferroelectric devices become thinner and thinner. Along with the downscaling of the ferroelectric film, there is an increasing influence of two strain gradient related terms. One is the strain gradient elasticity and the other one is flexoelectricity. To investigate the interrelationship between flexoelectricity and strain gradient elasticity and their combined effect on the domain structure in ferroelectric nanofilms, a phase field model of flexoelectricity and strain gradient elasticity on the ferroelectric domain evolution is developed based on Mindlin's theory of strain-gradient elasticity. Weak form is derived and implemented in finite element formulations for numerically solving the model equations. The simulation results show that upper bounds for flexoelectric coefficients can be enhanced by increasing strain gradient elasticity coefficients. While a large flexoelectricity that exceeds the upper bound can induce a transition from a ferroelectric state to a modulated/incommensurate state, a large enough strain gradient elasticity may lead to a conversion from an incommensurate state to a ferroelectric state. Strain gradient elasticity and the flexoelectricity have entirely opposite effects on polarization. The observed interrelationship between the strain gradient elasticity and flexoelectricity is rationalized by an analytical solution of the proposed theoretical model. The model proposed in this paper could help us understand the mechanism of phenomena observed in ferroelectric nanofilms under complex electromechanical loads and provide some guides on the practical application of ferroelectric nanofilms.

  2. Depinning of the ferroelectric domain wall in congruent LiNbO{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Donghwa, E-mail: donghwa96@jnu.ac.kr [School of Materials Science and Engineering, Chonnam National University, Gwangju 61186 (Korea, Republic of); Gopalan, Venkatraman [Department of Materials Science and Engineering, Pennsylvania State University, University Park, Pennsylvania 16802 (United States); Phillpot, Simon R. [Department of Materials Science and Engineering, University of Florida, Gainesville, Florida 32611 (United States)

    2016-08-22

    The high coercive field, E{sub c}, of congruent LiNbO{sub 3} can be reduced by doping with Mg or Zn atoms, or by increasing the temperature above a threshold value. The physical origin for this reduction is not currently understood. Here, density functional theory calculations illustrate the atomic origin of the change in the switching field of the congruent LiNbO{sub 3}. They show that the high E{sub c} in the congruent LiNbO{sub 3} is a result of niobium antisite atoms on the lithium sublattice, pinning the motion of the domain walls. Thus, the healing of antisites by diffusion can significantly reduce the coercive field. In addition, this work demonstrates that the migration of these niobium antisites can be enhanced by doping or by changing the temperature. Thus, the depinning process of the congruent LiNbO{sub 3} is understood by the migration of the niobium antisite defect across the domain wall.

  3. Photoelectron spectroscopy and spectro-microscopy of Pb(Zr,Ti)O{sub 3} (1 1 1) thin layers: Imaging ferroelectric domains with binding energy contrast

    Energy Technology Data Exchange (ETDEWEB)

    Huşanu, Marius A.; Popescu, Dana G.; Tache, Cristian A. [National Institute of Materials Physics, Atomistilor 105b, 077125 Magurele-Ilfov (Romania); Apostol, Nicoleta G. [National Institute of Materials Physics, Atomistilor 105b, 077125 Magurele-Ilfov (Romania); Elettra Sincrotrone Trieste, S.S. 14 – km 163,5, Area Science Park, 34169 Basovizza-Trieste (Italy); Barinov, Alexei; Lizzit, Silvano; Lacovig, Paolo [Elettra Sincrotrone Trieste, S.S. 14 – km 163,5, Area Science Park, 34169 Basovizza-Trieste (Italy); Teodorescu, Cristian M., E-mail: teodorescu@infim.ro [National Institute of Materials Physics, Atomistilor 105b, 077125 Magurele-Ilfov (Romania)

    2015-10-15

    Graphical abstract: - Highlights: • Achievement of well ordered PZT(1 1 1) surfaces with reasonable low energy electron diffraction patterns and good stoichiometry. • Ability of photoelectron spectromicroscopy to visualize ferroelectric domains with contrast of binding energy. • Model taking into account the influence of photogenerated carriers on the depolarization field and its torque on the polarization vector. • Evidence of domain wall migration induced by photogenerated carriers. • Segregation of metal Pb only on areas with out-of-plane component of the polarization pointing outwards. - Abstract: The ability of photoelectron spectro-microscopy with sub-micrometer lateral resolution to identify ferroelectric domains by analysis of surface band bendings is demonstrated on lead zirco-titanate PZT(1 1 1) thin films grown by pulsed laser deposition. Conventional synchrotron radiation X-ray photoelectron spectroscopy allowed one to derive the surface composition of the sample and evidenced shifts toward higher binding energy when the sample is subject to intense soft X-ray beam. A basic model is developed which supposes that photogenerated carriers reduce the depolarization field, yielding a lower torque applied to the ferroelectric polarization. As a consequence, the out-of-plane component of the polarization increases. Domain migration during irradiation with soft X-ray is inferred from the relative amplitude of the components with different binding energy. When the flux density of soft X-ray is on the order of 10{sup 11} photons/(s μm{sup 2}), metal Pb clusters are formed at the surface on areas with the out-of-plane component of the polarization pointing outwards only.

  4. Ferroelectric properties of Pb(Zr,Ti)O3 films under ion-beam induced strain

    Science.gov (United States)

    Lee, Jung-Kun; Nastasi, Michael

    2012-11-01

    The influence of an ion-beam induced biaxial stress on the ferroelectric and dielectric properties of Pb(Zr,Ti)O3 (PZT) films is investigated using the ion beam process as a novel approach to control external stress. Tensile stress is observed to decrease the polarization, permittivity, and ferroelectric fatigue resistance of the PZT films whose structure is monoclinic. However, a compressive stress increases all of them in monoclinic PZT films. The dependence of the permittivity on stress is found not to follow the phenomenological theory relating external forces to intrinsic properties of ferroelectric materials. Changes in the ferroelectric and dielectric properties indicate that the application of a biaxial stress modulates both extrinsic and intrinsic properties of PZT films. Different degrees of dielectric non-linearity suggests the density and mobility of non-180o domain walls, and the domain switching can be controlled by an applied biaxial stress and thereby influence the ferroelectric and dielectric properties.

  5. Stability of polarization in organic ferroelectric metal-insulator-semiconductor (MIS) structures

    Energy Technology Data Exchange (ETDEWEB)

    Kalbitz, Rene; Fruebing, Peter; Gerhard, Reimund [Department of Physics and Astronomy, University of Potsdam, Karl-Liebknecht-Strasse 24-25, 14476, Potsdam (Germany); Taylor, Martin [School of Electronic Engineering, Bangor University, Dean Street, Bangor Gwynedd, LL57 1UT (United Kingdom)

    2011-07-01

    Ferroelectric field effect transistors (FeFETs) offer the prospect of an organic-based memory device. Since the charge transport in such devices is confined to the interface between the insulator and the semiconductor, the focus of the present study was on the investigation of this region. Capacitance-voltage (C-V) measurements of all-organic MIS devices with poly(vinylidenefluoride- trifluoroethylene) (P(VDF-TrFE)) as gate insulator and poly(3-hexylthiophene)(P3HT) as semiconductor were carried out. When the structure was driven into depletion, a positive flat-band voltage shift was observed arising from the change in polarization state of the ferroelectric insulator. When driven into accumulation, the polarization was reversed. It is shown that both polarization states are stable. However, negative charge trapped at the interface during the depletion cycle masks the negative shift in flat-band voltage expected during the sweep to accumulation voltages. Measurements on P(VDF-TrFE)/P3HT based FeFETs yield further evidence for fixed charges at the interface. Output characteristics suggest the injection of negative charges into the interface region when a depletion voltage is applied between source and gate contact.

  6. On the structure of order domains

    DEFF Research Database (Denmark)

    Geil, Olav; Pellikaan, Ruud

    2002-01-01

    The notion of an order domain is generalized. The behaviour of an order domain by taking a subalgebra, the extension of scalars, and the tensor product is studied. The relation of an order domain with valuation theory, Gröbner algebras, and graded structures is given. The theory of Gröbner bases...... for order domains is developed and used to show that the factor ring theorem and its converse, the presentation theorem, hold. The dimension of an order domain is related to the rank of its value semigroup....

  7. In situ transmission electron microscopy study of the microstructural origins for the electric field-induced phenomena in ferroelectric perovskites

    Energy Technology Data Exchange (ETDEWEB)

    Guo, Hanzheng [Iowa State Univ., Ames, IA (United States)

    2014-12-15

    Ferroelectrics are important materials due to their extensive technological applications, such as non-volatile memories, field-effect transistors, ferroelectric tunneling junctions, dielectric capacitors, piezoelectric transducers, sensors and actuators. As is well known, the outstanding dielectric, piezoelectric, and ferroelectric properties of these functional oxides originate from their ferroelectric domain arrangements and the corresponding evolution under external stimuli (e.g. electric field, stress, and temperature). Electric field has been known as the most efficient stimulus to manipulate the ferroelectric domains through polarization switching and alignment. Therefore, direct observation of the dynamic process of electric field-induced domain evolution and crystal structure transformation is of significant importance to understand the microstructural mechanisms for the functional properties of ferroelectrics. In this dissertation, electric field in situ transmission electron microscopy (TEM) technique was employed to monitor the real-time evolution of the domain morphology and crystal structure during various electrical processes: (1) the initial poling process, (2) the electric field reversal process, and (3) the electrical cycling process. Two types of perovskite-structured ceramics, normal ferroelectrics and relaxor ferroelectrics, were used for this investigation. In addition to providing the microscopic insight for some wellaccepted phase transformation rules, discoveries of some new or even unexpected physical phenomena were also demonstrated.

  8. Flexoelectricity: strain gradient effects in ferroelectrics

    Energy Technology Data Exchange (ETDEWEB)

    Ma Wenhui [Department of Physics, Shantou Unversity, Shantou, Guangdong 515063 (China)

    2007-12-15

    Mechanical strain gradient induced polarization effect or flexoelectricity in perovskite-type ferroelectric and relaxor ferroelectric ceramics was investigated. The flexoelectric coefficients measured at room temperature ranged from about 1 {mu} C m{sup -1} for lead zirconate titanate to 100 {mu} C m{sup -1} for barium strontium titanate. Flexoelectric effects were discovered to be sensitive to chemical makeup, phase symmetry, and domain structures. Based on phenomenological discussion and experimental data on flexoelectricity, the present study proposed that mechanical strain gradient field could influence polarization responses in a way analogous to electric field. Flexoelectric coefficients were found to be nonlinearly enhanced by dielectric permittivity and strain gradient. Interfacial mismatch in epitaxial thin films can give rise to high strain gradients, enabling flexoelectric effects to make a significant impact in properly engineered ferroelectric heterostructure systems.

  9. Theoretical model for thin ferroelectric films and the multilayer structures based on them

    International Nuclear Information System (INIS)

    Starkov, A. S.; Pakhomov, O. V.; Starkov, I. A.

    2013-01-01

    A modified Weiss mean-field theory is used to study the dependence of the properties of a thin ferroelectric film on its thickness. The possibility of introducing gradient terms into the thermodynamic potential is analyzed using the calculus of variations. An integral equation is introduced to generalize the well-known Langevin equation to the case of the boundaries of a ferroelectric. An analysis of this equation leads to the existence of a transition layer at the interface between ferroelectrics or a ferroelectric and a dielectric. The permittivity of this layer is shown to depend on the electric field direction even if the ferroelectrics in contact are homogeneous. The results obtained in terms of the Weiss model are compared with the results of the models based on the correlation effect and the presence of a dielectric layer at the boundary of a ferroelectric and with experimental data

  10. Theoretical model for thin ferroelectric films and the multilayer structures based on them

    Science.gov (United States)

    Starkov, A. S.; Pakhomov, O. V.; Starkov, I. A.

    2013-06-01

    A modified Weiss mean-field theory is used to study the dependence of the properties of a thin ferroelectric film on its thickness. The possibility of introducing gradient terms into the thermodynamic potential is analyzed using the calculus of variations. An integral equation is introduced to generalize the well-known Langevin equation to the case of the boundaries of a ferroelectric. An analysis of this equation leads to the existence of a transition layer at the interface between ferroelectrics or a ferroelectric and a dielectric. The permittivity of this layer is shown to depend on the electric field direction even if the ferroelectrics in contact are homogeneous. The results obtained in terms of the Weiss model are compared with the results of the models based on the correlation effect and the presence of a dielectric layer at the boundary of a ferroelectric and with experimental data.

  11. Theoretical model for thin ferroelectric films and the multilayer structures based on them

    Energy Technology Data Exchange (ETDEWEB)

    Starkov, A. S., E-mail: starkov@iue.tuwien.ac.at; Pakhomov, O. V. [St. Petersburg National Research Univeristy ITMO, Institute of Refrigeration and Biotechnologies (Russian Federation); Starkov, I. A. [Vienna University of Technology, Institute for Microelectronics (Austria)

    2013-06-15

    A modified Weiss mean-field theory is used to study the dependence of the properties of a thin ferroelectric film on its thickness. The possibility of introducing gradient terms into the thermodynamic potential is analyzed using the calculus of variations. An integral equation is introduced to generalize the well-known Langevin equation to the case of the boundaries of a ferroelectric. An analysis of this equation leads to the existence of a transition layer at the interface between ferroelectrics or a ferroelectric and a dielectric. The permittivity of this layer is shown to depend on the electric field direction even if the ferroelectrics in contact are homogeneous. The results obtained in terms of the Weiss model are compared with the results of the models based on the correlation effect and the presence of a dielectric layer at the boundary of a ferroelectric and with experimental data.

  12. Functional Properties at Domain Walls in BiFeO3: Electrical, Magnetic, and Structural investigations

    Science.gov (United States)

    He, Qing; Yang, C.-H.; Yu, P.; Gajek, M.; Seidel, J.; Ramesh, R.; Wang, F.; Chu, Y.-H.; Martin, L. W.; Spaldin, N.; Rother, A.

    2009-03-01

    BiFeO3 (BFO) is a widely studied robust ferroelectric, antiferromagnetic multiferroic. Conducting-atomic force microscopy studies reveal the presence of enhanced conductivity at certain types of domain walls in BFO. We have completed detailed TEM studies of the physical structure at these domain walls as well as in-depth DFT calculations of the evolution of electronic structure at these domain walls. These studies reveal two major contributions to the observed conduction: the formation of an electrostatic potential at the domain walls as well as a structurally-driven change in the electronic structure (i.e., a lower band gap locally) at the domain walls. We will discuss the use of optical characterization techniques as a way of probing this change in electronic structure at domain walls as well as detailed IV characterization both in atmospheric and UHV environments. Finally, the evolution of magnetism at these domain walls has been studied through the use of photoemission measurements. Initial findings point to a significant change in the magnetic order at these domain walls in BFO.

  13. Magnetic structure driven ferroelectricity and large magnetoelectric coupling in antiferromagnet Co4Nb2O9

    Science.gov (United States)

    Srivastava, P.; Chaudhary, S.; Maurya, V.; Saha, J.; Kaushik, S. D.; Siruguri, V.; Patnaik, S.

    2018-05-01

    Synthesis and extensive structural, pyroelectric, magnetic, dielectric and magneto-electric characterizations are reported for polycrystalline Co4Nb2O9 towards unraveling the multiferroic ground state. Magnetic measurements confirm that Co4Nb2O9 becomes an anti-ferromagnet at around 28 K. Associated with the magnetic phase transition, a sharp peak in pyroelectric current indicates the appearance of strong magneto-electric coupling below Neel temperature (TN) along with large coupling constant upto 17.8 μC/m2T. Using temperature oscillation technique, we establish Co4Nb2O9 to be a genuine multiferroic with spontaneous electric polarization in the anti-ferromagnetic state in the absence of magnetic field poling. This is in agreement with our low temperature neutron diffraction studies that show the magnetic structure of Co4Nb2O9 to be that of a non-collinear anti-ferromagnet with ferroelectric ground state.

  14. Direct evidence of strong local ferroelectric ordering in a thermoelectric semiconductor

    Energy Technology Data Exchange (ETDEWEB)

    Aggarwal, Leena; Sekhon, Jagmeet S.; Arora, Ashima; Sheet, Goutam, E-mail: goutam@iisermohali.ac.in [Department of Physical Sciences, Indian Institute of Science Education and Research Mohali (IISER M), Sector 81, S. A. S. Nagar, Manauli PO-140306 (India); Guin, Satya N.; Negi, Devendra S.; Datta, Ranjan; Biswas, Kanishka, E-mail: kanishka@jncasr.ac.in [New Chemistry Unit and International Centre for Materials Science, Jawaharlal Nehru Centre for Advanced Scientific Research (JNCASR), Jakkur, Bangalore 560064 (India)

    2014-09-15

    It is thought that the proposed new family of multi-functional materials, namely, the ferroelectric thermoelectrics may exhibit enhanced functionalities due to the coupling of the thermoelectric parameters with ferroelectric polarization in solids. Therefore, the ferroelectric thermoelectrics are expected to be of immense technological and fundamental significance. As a first step towards this direction, it is most important to identify the existing high performance thermoelectric materials exhibiting ferroelectricity. Herein, through the direct measurement of local polarization switching, we show that the recently discovered thermoelectric semiconductor AgSbSe{sub 2} has local ferroelectric ordering. Using piezo-response force microscopy, we demonstrate the existence of nanometer scale ferroelectric domains that can be switched by external electric field. These observations are intriguing as AgSbSe{sub 2} crystalizes in cubic rock-salt structure with centro-symmetric space group (Fm–3m), and therefore, no ferroelectricity is expected. However, from high resolution transmission electron microscopy measurement, we found the evidence of local superstructure formation which, we believe, leads to local distortion of the centro-symmetric arrangement in AgSbSe{sub 2} and gives rise to the observed ferroelectricity. Stereochemically active 5S{sup 2} lone-pair of Sb may also give rise to local structural distortion thereby creating ferroelectricity in AgSbSe{sub 2}.

  15. Transmission electron and optical microscopy of the domain structure of Ni3B7O13Br ferroic boracite

    International Nuclear Information System (INIS)

    Castellanos-Guzman, A.G.; Trujillo-Torrez, M.; Czank, M.

    2005-01-01

    The study investigated the domain structure of nickel bromine boracite single crystals, by means of polarised-light in conjunction with transmission electron microscopy. Single crystals of Ni 3 B 7 O 13 Br were grown by chemical transport reactions in closed quartz ampoules, in the temperature range of 1130 K and were examined by polarising optical microscopy (PLM), and transmission electron microscopy (TEM). PLM was also used in order to study the behaviour of birefringence as a function of temperature. For TEM the single crystals were crushed and mounted on holey carbon films. Comparative electron microscope images were useful for revealing the domain structure of this fully ferroelectric/fully ferroelastic material previously observed between the crossed polars of an optical microscope. X-ray diffraction analysis of the crystal under study was performed at room temperature

  16. Structuring very large domain models

    DEFF Research Database (Denmark)

    Störrle, Harald

    2010-01-01

    View/Viewpoint approaches like IEEE 1471-2000, or Kruchten's 4+1-view model are used to structure software architectures at a high level of granularity. While research has focused on architectural languages and with consistency between multiple views, practical questions such as the structuring a...

  17. The origin of ultrahigh piezoelectricity in relaxor-ferroelectric solid solution crystals

    Energy Technology Data Exchange (ETDEWEB)

    Li, Fei; Zhang, Shujun; Yang, Tiannan; Xu, Zhuo; Zhang, Nan; Liu, Gang; Wang, Jianjun; Wang, Jianli; Cheng, Zhenxiang; Ye, Zuo-Guang; Luo, Jun; Shrout, Thomas R.; Chen, Long-Qing (Penn); (Xian Jiaotong); (CIW); (Simon); (TRS Techn); (Wollongong)

    2016-12-19

    The discovery of ultrahigh piezoelectricity in relaxor-ferroelectric solid solution single crystals is a breakthrough in ferroelectric materials. A key signature of relaxor-ferroelectric solid solutions is the existence of polar nanoregions, a nanoscale inhomogeneity, that coexist with normal ferroelectric domains. Despite two decades of extensive studies, the contribution of polar nanoregions to the underlying piezoelectric properties of relaxor ferroelectrics has yet to be established. Here we quantitatively characterize the contribution of polar nanoregions to the dielectric/piezoelectric responses of relaxor-ferroelectric crystals using a combination of cryogenic experiments and phase-field simulations. The contribution of polar nanoregions to the room-temperature dielectric and piezoelectric properties is in the range of 50–80%. A mesoscale mechanism is proposed to reveal the origin of the high piezoelectricity in relaxor ferroelectrics, where the polar nanoregions aligned in a ferroelectric matrix can facilitate polarization rotation. This mechanism emphasizes the critical role of local structure on the macroscopic properties of ferroelectric materials.

  18. The origin of ultrahigh piezoelectricity in relaxor-ferroelectric solid solution crystals.

    Science.gov (United States)

    Li, Fei; Zhang, Shujun; Yang, Tiannan; Xu, Zhuo; Zhang, Nan; Liu, Gang; Wang, Jianjun; Wang, Jianli; Cheng, Zhenxiang; Ye, Zuo-Guang; Luo, Jun; Shrout, Thomas R; Chen, Long-Qing

    2016-12-19

    The discovery of ultrahigh piezoelectricity in relaxor-ferroelectric solid solution single crystals is a breakthrough in ferroelectric materials. A key signature of relaxor-ferroelectric solid solutions is the existence of polar nanoregions, a nanoscale inhomogeneity, that coexist with normal ferroelectric domains. Despite two decades of extensive studies, the contribution of polar nanoregions to the underlying piezoelectric properties of relaxor ferroelectrics has yet to be established. Here we quantitatively characterize the contribution of polar nanoregions to the dielectric/piezoelectric responses of relaxor-ferroelectric crystals using a combination of cryogenic experiments and phase-field simulations. The contribution of polar nanoregions to the room-temperature dielectric and piezoelectric properties is in the range of 50-80%. A mesoscale mechanism is proposed to reveal the origin of the high piezoelectricity in relaxor ferroelectrics, where the polar nanoregions aligned in a ferroelectric matrix can facilitate polarization rotation. This mechanism emphasizes the critical role of local structure on the macroscopic properties of ferroelectric materials.

  19. Structure of the fully ferroelectric/fully ferroelastic orthohombic room-temperature phase of cobalt bromine boracite, Co3B7O13Br and nickel chlorine boracite, Ni3B7O13Cl

    International Nuclear Information System (INIS)

    Kubel, F.; Mao, S.Y.; Schmid, H.

    1992-01-01

    The X-ray crystal structures of optically controlled single-domain crystals of fully ferroelectric/fully ferroelastic cobalt bromine boracite, Co 3 B 7 O 13 Br (Co-Br) at 298 K [M r = 540.38, orthorhombic, Pca2 1 , a = 8.5614 (2), b = 8.5657 (2), c = 12.1196 (3) A, V = 888.78 (4) A 3 , Z = 4, D x = 4.04 Mg m -3 , λ(Mo Kα) = 0.7107 A, μ = 10.61 mm -1 , F(000) = 1020, R = 7.0, wR = 5.4%, 2824 reflections] and of nickel chlorine boracite, Ni 3 B 7 O 13 Cl (Ni-Cl) at 298 K [M r = 495.25, orthorhombic, Pca2 1 , a = 8.5105 (4), b = 8.4984 (4), c = 12.0324 (5) A, V = 870.25 (7) A 3 , Z = 4, D x = 3.78 Mg m -3 , λ(Mo Kα) = 0.7107 A, μ = 6.8 mm -1 , F(000) = 960, R = 3.5, wR = 3.1%, 2082 reflections] are reported. The metal surroundings of Co-Br and Ni-Cl were analyzed in detail and show two metal sites (Co2, Co3; Ni2, Ni3) with chemically similar environments and one metal site (Co1; Ni1) with a different environment. Six B atoms have a tetrahedral or slightly distorted tetrahedral coordination, whereas one B atom (B4) has triangular surroundings in both compounds. (orig.)

  20. High-resolution 2-D Bragg diffraction reveal heterogeneous domain transformation behavior in a bulk relaxor ferroelectric

    Energy Technology Data Exchange (ETDEWEB)

    Pramanick, Abhijit, E-mail: apramani@cityu.edu.hk [Department of Physics and Materials Science, City University of Hong Kong, Kowloon (Hong Kong); Stoica, Alexandru D.; An, Ke [Chemical and Engineering Materials Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States)

    2016-08-29

    In-situ measurement of fine-structure of neutron Bragg diffraction peaks from a relaxor single-crystal using a time-of-flight instrument reveals highly heterogeneous mesoscale domain transformation behavior under applied electric fields. It is observed that only ∼25% of domains undergo reorientation or phase transition contributing to large average strains, while at least 40% remain invariant and exhibit microstrains. Such insights could be central for designing new relaxor materials with better performance and longevity. The current experimental technique can also be applied to resolve complex mesoscale phenomena in other functional materials.

  1. Polarization enhancement and ferroelectric switching enabled by interacting magnetic structures in DyMnO3 thin films

    KAUST Repository

    Lu, Chengliang

    2013-12-02

    The mutual controls of ferroelectricity and magnetism are stepping towards practical applications proposed for quite a few promising devices in which multiferroic thin films are involved. Although ferroelectricity stemming from specific spiral spin ordering has been reported in highly distorted bulk perovskite manganites, the existence of magnetically induced ferroelectricity in the corresponding thin films remains an unresolved issue, which unfortunately halts this step. In this work, we report magnetically induced electric polarization and its remarkable response to magnetic field (an enhancement of ?800% upon a field of 2 Tesla at 2 K) in DyMnO3 thin films grown on Nb-SrTiO3 substrates. Accompanying with the large polarization enhancement, the ferroelectric coercivity corresponding to the magnetic chirality switching field is significantly increased. A picture based on coupled multicomponent magnetic structures is proposed to understand these features. Moreover, different magnetic anisotropy related to strain-suppressed GdFeO 3-type distortion and Jahn-Teller effect is identified in the films.

  2. Neutron diffraction study of crystal structures of deuterated glycinium phosphite in paraelectric and ferroelectric phases

    International Nuclear Information System (INIS)

    Machida, Mitsuo; Uchida, Hiroyuki; Ishibashi, Toku; Taniguchi, Hiroki; Komukae, Masaru; Osaka, Toshio; Koyano, Nobumitsu

    2004-01-01

    Crystal structure of deuterated glycinium phosphite was studied in the paraelectric (P) phase at 348 K and in the ferroelectric (F) phase at 223 K by means of the single crystal neutron diffraction. Deuteration rate is estimated to be 0.939 by the least-squares refinement. In the P phase, quasi-one-dimensional hydrogen bond chains are built by mutually linking the DPO 3 2- anions through two different types of hydrogen bonds with the bond angles of 179.2 and 171.6deg. Two independent deuterons within the hydrogen bonds forming the chains are disordered over two sites separated by 0.545 and 0.539A. In the F phase, they order at a position nearly equal to one of two sites related by the disorder in the P phase. With the ordering of the deuterons, the P-O bonds with covalently bonded deuteron elongate, and those without covalently bonded deuteron reduce their lengths to some extend from the values determined in the P phase. Two oxygens involved in the hydrogen bond with the bond angle 179.2deg exhibits especially large displacements in the F phase. This suggests strongly an importance of this hydrogen bond in the polarization appearance and in the ferroelectric transition. Comparison with results of non-deuterated salt indicates that only the hydrogen bonds forming the chains show significant isotope shift. In particular, the hydrogen bond with the bond angle 179.2deg exhibits the most pronounced shift on the angle parameter defined by the angle between the line connecting two sites of disordered proton or deuteron and the line connecting two oxygens involved in the hydrogen bond. (author)

  3. Low-temperature structure and the ferroelectric phase transitions in the CdTi O3 perovskite

    Science.gov (United States)

    Kennedy, Brendan J.; Zhou, Qingdi; Zhao, Shipeng; Jia, Fanhao; Ren, Wei; Knight, Kevin S.

    2017-12-01

    The paraelectric-ferroelectric transition in CdTi O3 has been monitored using high-resolution neutron diffraction data. This necessitated preparing a sample enriched in 114Cd. A subtle, but significant, anisotropy in the thermal expansion of the lattice parameters for CdTi O3 associated with the transition to the polar structure was observed. First-principles calculations are presented to understand energies, phonon dispersion, and structures of possible phases with different symmetries.

  4. Room temperature ferroelectricity in continuous croconic acid thin films

    Energy Technology Data Exchange (ETDEWEB)

    Jiang, Xuanyuan; Lu, Haidong; Yin, Yuewei; Ahmadi, Zahra; Costa, Paulo S. [Department of Physics and Astronomy, University of Nebraska, Lincoln, Nebraska 68588 (United States); Zhang, Xiaozhe [Department of Physics and Astronomy, University of Nebraska, Lincoln, Nebraska 68588 (United States); Department of Physics, Xi' an Jiaotong University, Xi' an 710049 (China); Wang, Xiao; Yu, Le; Cheng, Xuemei [Department of Physics, Bryn Mawr College, Bryn Mawr, Pennsylvania 19010 (United States); DiChiara, Anthony D. [Advanced Photon Source, Argonne National Laboratory, Argonne, Illinois 60439 (United States); Gruverman, Alexei, E-mail: alexei-gruverman@unl.edu, E-mail: a.enders@me.com, E-mail: xiaoshan.xu@unl.edu; Enders, Axel, E-mail: alexei-gruverman@unl.edu, E-mail: a.enders@me.com, E-mail: xiaoshan.xu@unl.edu; Xu, Xiaoshan, E-mail: alexei-gruverman@unl.edu, E-mail: a.enders@me.com, E-mail: xiaoshan.xu@unl.edu [Department of Physics and Astronomy, University of Nebraska, Lincoln, Nebraska 68588 (United States); Nebraska Center for Materials and Nanoscience, University of Nebraska, Lincoln, Nebraska 68588 (United States)

    2016-09-05

    Ferroelectricity at room temperature has been demonstrated in nanometer-thin quasi 2D croconic acid thin films, by the polarization hysteresis loop measurements in macroscopic capacitor geometry, along with observation and manipulation of the nanoscale domain structure by piezoresponse force microscopy. The fabrication of continuous thin films of the hydrogen-bonded croconic acid was achieved by the suppression of the thermal decomposition using low evaporation temperatures in high vacuum, combined with growth conditions far from thermal equilibrium. For nominal coverages ≥20 nm, quasi 2D and polycrystalline films, with an average grain size of 50–100 nm and 3.5 nm roughness, can be obtained. Spontaneous ferroelectric domain structures of the thin films have been observed and appear to correlate with the grain patterns. The application of this solvent-free growth protocol may be a key to the development of flexible organic ferroelectric thin films for electronic applications.

  5. Study of the mapping mechanism of ferroelectric domains with the scanning force microscope; Untersuchung der Abbildungsmechanismen ferroelektrischer Domaenen mit dem Rasterkraftmikroskop

    Energy Technology Data Exchange (ETDEWEB)

    Jungk, T.

    2006-12-15

    The piezo-force microscopy (PFM) allows the mapping of ferroelectric domains until the nanometer range. In spite of its simple function principle it was hitherto not completely understood. In ordser to develop the PFM further to a quantitative analysis method its methodical aspects were analyzed. It was shown that the fundamental mapping mechanism is based on the inverse piezo-effect. Different artefacts to be found in the literature could therefore be reduced to a measurement background. Furthermore the influence of the electrode geometry was analyzed. The width of doamin walls was systematically measured and simulated with a mode, whereby a maximal resolution of 17 nm was reached. By the development of a correction procedure for the exact detection of the forces acting on the spring-beam the lateral signals measured on domain walls could by newly interpreted. So the ''Lateral Electrostatic Force Microscopy'' was developed.

  6. Ferroelectric materials and their applications

    CERN Document Server

    Xu, Y

    2013-01-01

    This book presents the basic physical properties, structure, fabrication methods and applications of ferroelectric materials. These are widely used in various devices, such as piezoelectric/electrostrictive transducers and actuators, pyroelectric infrared detectors, optical integrated circuits, optical data storage, display devices, etc. The ferroelectric materials described in this book include a relatively complete list of practical and promising ferroelectric single crystals, bulk ceramics and thin films. Included are perovskite-type, lithium niobate, tungsten-bronze-type, water-soluable

  7. The influence of the coexistence of ferroelectric and antiferroelectric states on the lead lanthanum zirconate titanate crystal structure

    International Nuclear Information System (INIS)

    Ishchuk, V M; Baumer, V N; Sobolev, V L

    2005-01-01

    We present results of detailed investigation of the crystal structure of Pb 1-3x/2 La x (Zr 1-y Ti y )O 3 solid solutions. In this letter our attention is concentrated on the series of solid solutions with x = 6% usually referred to as relaxor ferroelectrics. We have established the reasons for the non-cubic crystal structure of these solid solutions at the temperatures below T C . It is demonstrated that the peculiarities of the properties of Pb 1-3x/2 La x (Zr 1-y Ti y )O 3 depend on the position of a particular solid solution with respect to the hysteresis ferroelectric-antiferroelectric region in the 'Ti-content-temperature' phase diagram. (letter to the editor)

  8. Impact of copper substitution on the structural, ferroelectric and magnetic properties of tungsten bronze ceramics

    Science.gov (United States)

    Jindal, Shilpi; Devi, Sheela; Batoo, Khalid Mujasam; Kumar, Gagan; Vasishth, Ajay

    2018-05-01

    The copper substituted tungsten bronze ceramics with generic formula Ba5CaCuXTi2-xNb8O30(x = 0.0, 0.02, 0.04, 0.06 and 0.08) were successfully synthesized for the first time by solid state reaction method. X-ray diffraction (XRD), Scanning electron microscopy (SEM) and energy dispersive X-ray analysis (EDAX) were utilized to examine the different structural parameters and elemental compositions. XRD study depicted the single phase tetragonal structure having space group P4bm. The crystallite size was observed to be in the range 14.4-30.23 nm. The coexistent of ferroelectricity and magnetism was established by P-E and M-H measurements. The P-E loop study indicated an increase in the coercive field (11.805-23.736 kVcm-1) while the M-H study depicted adecrease in the magnetization (7.65 × 10-4-5.32 × 10-4 emu/g) with the incorporation of Cu2+ ions. Raman spectrum depicted that there is shift in the position of Raman modes with the substitution of copper which revealed one-mode behavior in the synthesized ceramics.

  9. Ferroelectric control of magnetization in BiFeO3/CoFe heterostructures.

    Science.gov (United States)

    Gajek, Martin; Martin, Lane; Heron, John; Seidel, Jan; Ramesh, Ramamoorthy

    2009-03-01

    The cross coupling between ferroic order parameters in multiferroics opens an alternative for the control of magnetism in magnetoelectric devices by purely electrical means. We first report on the exchange coupling between BiFeO3, an antiferromagnetic ferroelectric , and CoFe. We then show that the domain structure of the ferromagnet can be changed by poling the ferroelectric layer. Finally, we will discuss the implementation of our findings into possible device schemes.

  10. Cofiring behavior and interfacial structure of NiCuZn ferrite/PMN ferroelectrics composites for multilayer LC filters

    International Nuclear Information System (INIS)

    Miao Chunlin; Zhou Ji; Cui Xuemin; Wang Xiaohui; Yue Zhenxing; Li Longtu

    2006-01-01

    The cofiring behavior, interfacial structure and cofiring migration between NiCuZn ferrite and lead magnesium niobate (PMN)-based relaxor ferroelectric materials were investigated via thermomechanical analyzer (TMA), X-ray diffractometer (XRD), scanning electron microscopy (SEM) and energy dispersive X-ray spectroscopy (EDS). Mismatched sintering shrinkage between NiCuZn ferrite and PMN was modified by adding an appropriate amount of sintering aids, Bi 2 O 3 , into NiCuZn ferrite. Pyrochlore phase appeared in the mixture of NiCuZn ferrite and PMN, which is detrimental to the final electric properties of LC filters. EDS results indicated that the interdiffusion at the heterogeneous interfaces in the composites, such as Fe, Pb, Zn, existed which can strengthen combinations between ferrite layers and ferroelectrics layers

  11. Study of the structure and ferroelectric behavior of BaBi4-xLaxTi4O15 ceramics

    Science.gov (United States)

    Khokhar, Anita; Goyal, Parveen K.; Thakur, O. P.; Sreenivas, K.

    2015-06-01

    The structure and ferroelectric properties of Lanthanum substituted barium bismuth titanate BaBi4-xLaxTi4O15 (0 ≤ x ≤ 0.5) ceramics prepared by solid-state reaction method have been investigated. X-ray diffraction (XRD) confirms the formation of a single phase material. The distribution of lanthanum into the perovskite layers and (Bi2O2)2+ layers of BaBi4Ti4O15 ceramics have been revealed through Raman spectroscopy. At lower value of x, it is seen that La3+ ions prefer to substitute A-site Bi3+ ions in the perovskite layers while for higher x values, La3+ ions get incorporated into the (Bi2O2)2+ layers. A critical La content of x ˜ 0.2 in BaBi4-xLaxTi4O15 is seen to exhibit a large remnant polarization (Pr) with low coercive field (Ec). The improvement in the ferroelectric properties of La substituted BaBi4Ti4O15 ceramics has been explained in terms of changing oxygen vacancy concentration and structural relaxation. Tunable ferroelectric materials can be obtained by manipulating the doping amount of lanthanum ion.

  12. Study of the structure, dielectric and ferroelectric behavior of BaBi4+δTi4O15 ceramics

    Science.gov (United States)

    Khokhar, Anita; Goyal, Parveen K.; Thakur, O. P.; Sreenivas, K.

    2016-05-01

    The structure and ferroelectric properties of excess bismuth doped barium bismuth titanate BaBi4+δTi4O15 (δ = 2 - 10 wt.%)) ceramics prepared by solid-state reaction method have been investigated. X-ray diffraction (XRD) confirms the formation of a single phase material with a change in the orthorhombic distortion with varying excess of bismuth content. There is no change in the phase transition temperature (Tm) while the relaxor behaviour has been modified significantly with excess of bismuth doping. Saturated hysteresis loops with high remnant polarization (Pr ~ 12.5 µC/cm2), low coercive fields (Ec ~ 26 kV/cm) are measured and a high piezoelectric coefficient (d33 ~ 29 pC/N) is achieved in poled BaBi4Ti4O15 ceramics prepared with up to 8 wt.% of excess bismuth oxide. The improvement in the ferroelectric properties with increase in the excess bismuth content in BaBi4Ti4O15 ceramics has been explained in terms of changing oxygen vacancy concentration and structural relaxation. Tunable ferroelectric materials can be obtained by manipulating the doping amount of excess bismuth.

  13. Structural Time Domain Identification Toolbox User's Guide

    DEFF Research Database (Denmark)

    Andersen, P.; Kirkegaard, Poul Henning; Brincker, Rune

    This manual describes the Structural Time Domain Identification toolbox for use with MA TLAB. This version of the tool box has been developed using the PC-based MA TLAB version 4.2c, but is compatible with prior versions of MATLAB and UNIX-based versions. The routines of the toolbox are the so...

  14. Nanodomain Engineering in Ferroelectric Capacitors with Graphene Electrodes.

    Science.gov (United States)

    Lu, Haidong; Wang, Bo; Li, Tao; Lipatov, Alexey; Lee, Hyungwoo; Rajapitamahuni, Anil; Xu, Ruijuan; Hong, Xia; Farokhipoor, Saeedeh; Martin, Lane W; Eom, Chang-Beom; Chen, Long-Qing; Sinitskii, Alexander; Gruverman, Alexei

    2016-10-12

    Polarization switching in ferroelectric capacitors is typically realized by application of an electrical bias to the capacitor electrodes and occurs via a complex process of domain structure reorganization. As the domain evolution in real devices is governed by the distribution of the nucleation centers, obtaining a domain structure of a desired configuration by electrical pulsing is challenging, if not impossible. Recent discovery of polarization reversal via the flexoelectric effect has opened a possibility for deterministic control of polarization in ferroelectric capacitors. In this paper, we demonstrate mechanical writing of arbitrary-shaped nanoscale domains in thin-film ferroelectric capacitors with graphene electrodes facilitated by a strain gradient induced by a tip of an atomic force microscope (AFM). A phase-field modeling prediction of a strong effect of graphene thickness on the threshold load required to initiate mechanical switching has been confirmed experimentally. Deliberate voltage-free domain writing represents a viable approach for development of functional devices based on domain topology and electronic properties of the domains and domain walls.

  15. Pyroelectric field assisted ion migration induced by ultraviolet laser irradiation and its impact on ferroelectric domain inversion in lithium niobate crystals

    International Nuclear Information System (INIS)

    Ying, C. Y. J.; Mailis, S.; Daniell, G. J.; Steigerwald, H.; Soergel, E.

    2013-01-01

    The impact of UV laser irradiation on the distribution of lithium ions in ferroelectric lithium niobate single crystals has been numerically modelled. Strongly absorbed UV radiation at wavelengths of 244–305 nm produces steep temperature gradients which cause lithium ions to migrate and result in a local variation of the lithium concentration. In addition to the diffusion, here the pyroelectric effect is also taken into account which predicts a complex distribution of lithium concentration along the c-axis of the crystal: two separated lithium deficient regions on the surface and in depth. The modelling on the local lithium concentration and the subsequent variation of the coercive field are used to explain experimental results on the domain inversion of such UV treated lithium niobate crystals

  16. Three-mode coupling interference patterns in the dynamic structure factor of a relaxor ferroelectric

    Science.gov (United States)

    Manley, M. E.; Abernathy, D. L.; Sahul, R.; Stonaha, P. J.; Budai, J. D.

    2016-09-01

    A longstanding controversy for relaxor ferroelectrics has been the origin of the "waterfall" effect in the phonon dispersion curves, in which low-energy transverse phonons cascade into vertical columns. Originally interpreted as phonons interacting with polar nanoregions (PNRs), it was later explained as an interference effect of coupling damped optic and acoustic phonons. In light of a recently discovered PNR vibrational mode near the "waterfall" wave vector [M. E. Manley, J. W. Lynn, D. L. Abernathy, E. D. Specht, O. Delaire, A. R. Bishop, R. Sahul, and J. D. Budai, Nat. Commun. 5, 3683 (2014), 10.1038/ncomms4683], we have reexamined this feature using neutron scattering on [100]-poled PMN-30%PT [0.6 Pb (M g1 /3N b2 /3 ) O3-0.3 PbTi O3] . We find that the PNR mode couples to both optic and acoustic phonons and that this results in complex patterns in the dynamic structure factor, including intensity pockets and peaks localized in momentum-energy space. These features are fully explained by extending the mode-coupling model to include three coupled damped harmonic oscillators representing the transverse optic, acoustic, and PNR modes.

  17. High-power piezoelectric characteristics of textured bismuth layer structured ferroelectric ceramics.

    Science.gov (United States)

    Ogawa, Hirozumi; Kawada, Shinichiro; Kimura, Masahiko; Shiratsuyu, Kousuke; Sakabe, Yukio

    2007-12-01

    Abstract-The high-power piezoelectric characteristics in h001i oriented ceramics of bismuth layer structured ferroelectrics (BLSF), SrBi(2)Nb(2)O(9) (SBN), (Bi,La)(4)Ti(3)O(12) (BLT), and CaBi(4)Ti(4)O(15) (CBT), were studied by a constant voltage driving method. These textured ceramics were fabricated by a templated grain growth (TGG) method, and their Lotgering factors were 95%, 97%, and 99%, respectively. The vibration velocities of the longitudinal mode (33-mode) increased proportionally to an applied electric field up to 2.5 m/s in these textured BLSF ceramics, although, the vibration velocity of the 33-mode was saturated at more than 1.0 m/s in the Pb(Mn,Nb)O(3)-PZT ceramics. The resonant frequencies were constant up to the vibration velocity of 2.5 m/s in the SBN and CBT textured ceramics; however, the resonant frequency decreased with increasing over the vibration velocity of 1.5 m/s in the BLT textured ceramics. The dissipation power density of the BLT was almost the same as that of the Pb(Mn,Nb)O(3)-PZT ceramics. However, the dissipation power densities of the SBN and CBT were lower than those of the BLT and Pb(Mn,Nb)O(3)-PZT ceramics. The textured SBN and CBT ceramics are good candidates for high-power piezoelectric applications.

  18. p-n Junction Dynamics Induced in a Graphene Channel by Ferroelectric-Domain Motion in the Substrate

    Energy Technology Data Exchange (ETDEWEB)

    Kurchak, Anatolii I. [National Academy of Sciences of Ukraine (NASU), Kiev (Ukraine); Eliseev, Eugene A. [National Academy of Sciences of Ukraine (NASU), Kiev (Ukraine); Kalinin, Sergei V. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Strikha, Maksym V. [National Academy of Sciences of Ukraine (NASU), Kiev (Ukraine); Taras Shevchenko Kyiv National Univ., Kyiv (Ukraine); Morozovska, Anna N. [National Academy of Sciences of Ukraine (NASU), Kiev (Ukraine)

    2017-08-30

    The p - n junction dynamics induced in a graphene channel by stripe-domain nucleation, motion, and reversal in a ferroelectric substrate is explored using a self-consistent approach based on Landau-Ginzburg-Devonshire phenomenology combined with classical electrostatics. Relatively low gate voltages are required to induce the hysteresis of ferroelectric polarization and graphene charge in response to the periodic gate voltage. Pronounced nonlinear hysteresis of graphene conductance with a wide memory window corresponds to high amplitudes of gate voltage. Also, we reveal the extrinsic size effect in the dependence of the graphene-channel conductivity on its length. We predict that the top-gate–dielectric-layer–graphene-channel–ferroelectric-substrate nanostructure considered here can be a promising candidate for the fabrication of the next generation of modulators and rectifiers based on the graphene p - n junctions.

  19. Ferroelectrics under the Synchrotron Light: A Review

    Science.gov (United States)

    Fuentes-Cobas, Luis E.; Montero-Cabrera, María E.; Pardo, Lorena; Fuentes-Montero, Luis

    2015-01-01

    Currently, an intensive search for high-performance lead-free ferroelectric materials is taking place. ABO3 perovskites (A = Ba, Bi, Ca, K and Na; B = Fe, Nb, Ti, and Zr) appear as promising candidates. Understanding the structure–function relationship is mandatory, and, in this field, the roles of long- and short-range crystal orders and interactions are decisive. In this review, recent advances in the global and local characterization of ferroelectric materials by synchrotron light diffraction, scattering and absorption are analyzed. Single- and poly-crystal synchrotron diffraction studies allow high-resolution investigations regarding the long-range average position of ions and subtle global symmetry break-downs. Ferroelectric materials, under the action of electric fields, undergo crystal symmetry, crystallite/domain orientation distribution and strain condition transformations. Methodological aspects of monitoring these processes are discussed. Two-dimensional diffraction clarify larger scale ordering: polycrystal texture is measured from the intensities distribution along the Debye rings. Local order is investigated by diffuse scattering (DS) and X-ray absorption fine structure (XAFS) experiments. DS provides information about thermal, chemical and displacive low-dimensional disorders. XAFS investigation of ferroelectrics reveals local B-cation off-centering and oxidation state. This technique has the advantage of being element-selective. Representative reports of the mentioned studies are described. PMID:28787814

  20. Ferroelectrics under the Synchrotron Light: A Review

    Directory of Open Access Journals (Sweden)

    Luis E. Fuentes-Cobas

    2015-12-01

    Full Text Available Currently, an intensive search for high-performance lead-free ferroelectric materials is taking place. ABO3 perovskites (A = Ba, Bi, Ca, K and Na; B = Fe, Nb, Ti, and Zr appear as promising candidates. Understanding the structure–function relationship is mandatory, and, in this field, the roles of long- and short-range crystal orders and interactions are decisive. In this review, recent advances in the global and local characterization of ferroelectric materials by synchrotron light diffraction, scattering and absorption are analyzed. Single- and poly-crystal synchrotron diffraction studies allow high-resolution investigations regarding the long-range average position of ions and subtle global symmetry break-downs. Ferroelectric materials, under the action of electric fields, undergo crystal symmetry, crystallite/domain orientation distribution and strain condition transformations. Methodological aspects of monitoring these processes are discussed. Two-dimensional diffraction clarify larger scale ordering: polycrystal texture is measured from the intensities distribution along the Debye rings. Local order is investigated by diffuse scattering (DS and X-ray absorption fine structure (XAFS experiments. DS provides information about thermal, chemical and displacive low-dimensional disorders. XAFS investigation of ferroelectrics reveals local B-cation off-centering and oxidation state. This technique has the advantage of being element-selective. Representative reports of the mentioned studies are described.

  1. Structural transitions in hybrid improper ferroelectric C a3T i2O7 tuned by site-selective isovalent substitutions: A first-principles study

    Science.gov (United States)

    Li, C. F.; Zheng, S. H.; Wang, H. W.; Gong, J. J.; Li, X.; Zhang, Y.; Yang, K. L.; Lin, L.; Yan, Z. B.; Dong, Shuai; Liu, J.-M.

    2018-05-01

    C a3T i2O7 is an experimentally confirmed hybrid improper ferroelectric material, in which the electric polarization is induced by a combination of the coherent Ti O6 octahedral rotation and tilting. In this work, we investigate the tuning of ferroelectricity of C a3T i2O7 using isovalent substitutions on Ca sites. Due to the size mismatch, larger/smaller alkaline earths prefer A'/A sites, respectively, allowing the possibility for site-selective substitutions. Without extra carriers, such site-selected isovalent substitutions can significantly tune the Ti O6 octahedral rotation and tilting, and thus change the structure and polarization. Using the first-principles calculations, our study reveals that three substituted cases (Sr, Mg, and Sr+Mg) show divergent physical behaviors. In particular, (CaTiO3) 2SrO becomes nonpolar, which can reasonably explain the suppression of polarization upon Sr substitution observed in experiment. In contrast, the polarization in (MgTiO3) 2CaO is almost doubled upon substitutions, while the estimated coercivity for ferroelectric switching does not change. The (MgTiO3) 2SrO remains polar but its structural space group changes, with moderate increased polarization and possible different ferroelectric switching paths. Our study reveals the subtle ferroelectricity in the A3T i2O7 family and suggests one more practical route to tune hybrid improper ferroelectricity, in addition to the strain effect.

  2. Ferroelectric, magnetic and structural studies of the Bi4LaSmFe2Ti3O18 multiferroic material

    International Nuclear Information System (INIS)

    Alarcón-Suesca, C.E.; Cardona-Vásquez, J.A.; Salcedo-Fontecha, J.P.; Vargas-Jiménez, A.; Landínez-Téllez, D.A.; Roa-Rojas, J.

    2014-01-01

    We report the synthesis and characterization of the new Bi 4 LaSmFe 2 Ti 3 O 18 ferroelectric ceramic. X-ray characterization reveals reflections for layered perovskite Aurivillius system. Rietveld analyses of the powder pattern shows that Bi 4 LaSmFe 2 Ti 3 O 18 crystallizes in orthorhombic structure, which corresponds to the space group F2/mm (#42), with lattice parameters a=5.4240(16) Ǻ, b=5.4078(23) Ǻ and c=50.2440(12) Ǻ. Scanning electron microscopy (SEM) reveals the formation of dense material with plate-like morphology. Electric polarization curves were measured by means of a radiant ferroelectric tester, at room temperature in bulk samples and exhibit an intrinsic ferroelectric response, even at low applied fields. Measurements of the magnetization as a function of temperature after Zero field cooling and field cooling were carried out by using a MPMS Quantum Design SQUID magnetometer. We found an effective magnetic moment of 7.95 µB, which is 95.8% in agreement with the expected value calculated from Hund's rules. Magnetization curves as the function of applied fields reveal an incipient hysteretic behavior at room temperature

  3. Multilevel domain decomposition for electronic structure calculations

    International Nuclear Information System (INIS)

    Barrault, M.; Cances, E.; Hager, W.W.; Le Bris, C.

    2007-01-01

    We introduce a new multilevel domain decomposition method (MDD) for electronic structure calculations within semi-empirical and density functional theory (DFT) frameworks. This method iterates between local fine solvers and global coarse solvers, in the spirit of domain decomposition methods. Using this approach, calculations have been successfully performed on several linear polymer chains containing up to 40,000 atoms and 200,000 atomic orbitals. Both the computational cost and the memory requirement scale linearly with the number of atoms. Additional speed-up can easily be obtained by parallelization. We show that this domain decomposition method outperforms the density matrix minimization (DMM) method for poor initial guesses. Our method provides an efficient preconditioner for DMM and other linear scaling methods, variational in nature, such as the orbital minimization (OM) procedure

  4. Structural, magnetic, and ferroelectric properties of T-like cobalt-doped BiFeO3 thin films

    Science.gov (United States)

    Young, T.; Sharma, P.; Kim, D. H.; Ha, Thai Duy; Juang, Jenh-Yih; Chu, Y.-H.; Seidel, J.; Nagarajan, V.; Yasui, S.; Itoh, M.; Sando, D.

    2018-02-01

    We present a comprehensive study of the physical properties of epitaxial cobalt-doped BiFeO3 films ˜50 nm thick grown on (001) LaAlO3 substrates. X-ray diffraction and magnetic characterization demonstrate high quality purely tetragonal-like (T') phase films with no parasitic impurities. Remarkably, the step-and-terrace film surface morphology can be fully recovered following a local electric-field-induced rhombohedral-like to T' phase transformation. Local switching spectroscopy experiments confirm the ferroelectric switching to follow previously reported transition pathways. Critically, we show unequivocal evidence for conduction at domain walls between polarization variants in T'-like BFO, making this material system an attractive candidate for domain wall-based nanoelectronics.

  5. Bismuth-, Tin-, and Lead-Containing Metal-Organic Materials: Synthesis, Structure, Photoluminescence, Second Harmonic Generation, and Ferroelectric Properties

    Science.gov (United States)

    Wibowo, Arief Cahyo

    Metal-Organic Materials (MOMs) contain metal moieties and organic ligands that combine to form discrete (e.g. metal-organic polyhedra, spheres or nanoballs, metal-organic polygons) or polymeric structures with one-, two-, or three-dimensional periodicities that can exhibit a variety of properties resulting from the presence of the metal moieties and/or ligand connectors in the structure. To date, MOMs with a range of functional attributes have been prepared, including record-breaking porosity, catalytic properties, molecular magnetism, chemical separations and sensing ability, luminescence and NLO properties, multiferroic, ferroelectric, and switchable molecular dielectric properties. We are interested in synthesizing non-centrosymmetric MOM single crystals possessing one of the ten polar space groups required for non-linear optical properties (such as second harmonic generation) and ferroelectric applications. This thesis is divided into two main parts: materials with optical properties, such as photoluminescence and materials for targeted applications such as second harmonic generation and ferroelectric properties. This thesis starts with an introduction describing material having centrosymmetric, non-polar space groups, single crystals structures and their photoluminescence properties. These crystals exhibit very interesting and rare structures as well as interesting photoluminescence properties. Chapters 2-5 of this thesis focus on photoluminescent properties of new MOMs, and detail the exploratory research involving the comparatively rare bismuth, lead, and tin coordination polymers. Specifically, the formation of single white-light emitting phosphors based on the combination of bismuth or lead with pyridine-2,5-dicarboxylate is discussed (Chapter 2). The observation of a new Bi2O2 layer and a new Bi4O 3 chain in bismuth terephthalate-based coordination polymers is presented in Chapter 3, while the formation of diverse structures of tin-based coordination

  6. III-nitride integration on ferroelectric materials of lithium niobate by molecular beam epitaxy

    International Nuclear Information System (INIS)

    Namkoong, Gon; Lee, Kyoung-Keun; Madison, Shannon M.; Henderson, Walter; Ralph, Stephen E.; Doolittle, W. Alan

    2005-01-01

    Integration of III-nitride electrical devices on the ferroelectric material lithium niobate (LiNbO 3 ) has been demonstrated. As a ferroelectric material, lithium niobate has a polarization which may provide excellent control of the polarity of III-nitrides. However, while high temperature, 1000 deg. C, thermal treatments produce atomically smooth surfaces, improving adhesion of GaN epitaxial layers on lithium niobate, repolarization of the substrate in local domains occurs. These effects result in multi domains of mixed polarization in LiNbO 3 , producing inversion domains in subsequent GaN epilayers. However, it is found that AlN buffer layers suppress inversion domains of III-nitrides. Therefore, two-dimensional electron gases in AlGaN/GaN heterojunction structures are obtained. Herein, the demonstration of the monolithic integration of high power devices with ferroelectric materials presents possibilities to control LiNbO 3 modulators on compact optoelectronic/electronic chips

  7. Ferroelectric devices

    CERN Document Server

    Uchino, Kenji

    2009-01-01

    Updating its bestselling predecessor, Ferroelectric Devices, Second Edition assesses the last decade of developments-and setbacks-in the commercialization of ferroelectricity. Field pioneer and esteemed author Uchino provides insight into why this relatively nascent and interdisciplinary process has failed so far without a systematic accumulation of fundamental knowledge regarding materials and device development.Filling the informational void, this collection of information reviews state-of-the-art research and development trends reflecting nano and optical technologies, environmental regulat

  8. Structural sensitivity of x-ray Bragg projection ptychography to domain patterns in epitaxial thin films

    International Nuclear Information System (INIS)

    Hruszkewycz, S. O.; Zhang, Q.; Holt, M. V.; Highland, M. J.

    2016-01-01

    Bragg projection ptychography (BPP) is a coherent diffraction imaging technique capable of mapping the spatial distribution of the Bragg structure factor in nanostructured thin films. Here, we show that, because these images are projections, the structural sensitivity of the resulting images depends on the film thickness and the aspect ratio and orientation of the features of interest and that image interpretation depends on these factors. Lastly, we model changes in contrast in the BPP reconstructions of simulated PbTiO_3 ferroelectric thin films with meandering 180° stripe domains as a function of film thickness, discuss their origin, and comment on the implication of these factors on the design of BPP experiments of general nanostructured films.

  9. Electronic and Structural Properties of ABO3: Role of the B-O Coulomb Repulsions for Ferroelectricity.

    Science.gov (United States)

    Miura, Kaoru; Azuma, Masaki; Funakubo, Hiroshi

    2011-01-17

    We have investigated the role of the Ti-O Coulomb repulsions in the appearance of the ferroelectric state in BaTiO3 as well as the role of the Zn-O Coulomb repulsions in BiZn0.5Ti0.5O3, using a first-principles calculation with optimized structures. In tetragonal BaTiO3, it is found that the Coulomb repulsions between Ti 3s and 3p states and O 2s and 2p states have an important role for the appearance of Ti ion displacement. In BiZn0.5Ti0.5O3, on the other hand, the stronger Zn-O Coulomb repulsions, which are due to the 3s, 3p, and 3d (d10) states of the Zn ion, have more important role than the Ti-O Coulomb repulsions for the appearance of the tetragonal structure. Our suggestion is consistent with the other ferroelectric perovskite oxides ABO3 in the appearance of tetragonal structures as well as rhombohedral structures.

  10. Ferroelectricity with Ferromagnetic Moment in Orthoferrites

    Science.gov (United States)

    Tokunaga, Yusuke

    2010-03-01

    Exotic multiferroics with gigantic magnetoelectric (ME) coupling have recently been attracting broad interests from the viewpoints of both fundamental physics and possible technological application to next-generation spintronic devices. To attain a strong ME coupling, it would be preferable that the ferroelectric order is induced by the magnetic order. Nevertheless, the magnetically induced ferroelectric state with the spontaneous ferromagnetic moment is still quite rare apart from a few conical-spin multiferroics. To further explore multiferroic materials with both the strong ME coupling and spontaneous magnetization, we focused on materials with magnetic structures other than conical structure. In this talk we present that the most orthodox perovskite ferrite systems DyFeO3 and GdFeO3 have ``ferromagnetic-ferroelectric,'' i.e., genuinely multiferroic states in which weak ferromagnetic moment is induced by Dzyaloshinskii-Moriya interaction working on Fe spins and electric polarization originates from the striction due to symmetric exchange interaction between Fe and Dy (Gd) spins [1] [2]. Both materials showed large electric polarization (>0.1 μC/cm^2) and strong ME coupling. In addition, we succeeded in mutual control of magnetization and polarization with electric- and magnetic-fields in GdFeO3, and attributed the controllability to novel, composite domain wall structure. [4pt] [1] Y. Tokunaga et al., Phys. Rev. Lett. 101, 097205 (2008). [0pt] [2] Y. Tokunaga et al., Nature Mater. 8, 558 (2009).

  11. Structural Contribution to the Ferroelectric Fatigue in Lead Zirconate Titanate (PZT) Ceramics

    OpenAIRE

    Hinterstein , Manuel; Rouquette , Jerome; Haines , J; Papet , Ph; Glaum , Julia; Knapp , Michael; Eckert , J; Hoffman , M

    2014-01-01

    International audience; Many ferroelectric devices are based on doped lead zirconate titanate (PZT) ceramics with compositions near the morphotropic phase boundary (MPB), at which the relevant material's properties approach their maximum. Based on a synchrotron x-ray diffraction study of MPB PZT, bulk fatigue is unambiguously found to arise from a less effective field induced tetragonal-to-monoclinic transformation, at which the degradation of the polarization flipping is detected by a less i...

  12. Ferroelectricity in high-density H{sub 2}O ice

    Energy Technology Data Exchange (ETDEWEB)

    Caracas, Razvan, E-mail: razvan.caracas@ens-lyon.fr, E-mail: rhemley@ciw.edu [CNRS, Laboratoire de Géologie de Lyon UMR5276, Ecole Normale Supérieure de Lyon, 46, alleé d’Italie, Université Claude-Bernard Lyon 1, Université de Lyon, 69364 Lyon cedex 07 (France); Hemley, Russell J., E-mail: razvan.caracas@ens-lyon.fr, E-mail: rhemley@ciw.edu [Geophysical Laboratory, 5251 Broad Branch Road NW, Carnegie Institution of Washington, Washington, DC 20015 (United States)

    2015-04-07

    The origin of longstanding anomalies in experimental studies of the dense solid phases of H{sub 2}O ices VII, VIII, and X is examined using a combination of first-principles theoretical methods. We find that a ferroelectric variant of ice VIII is energetically competitive with the established antiferroelectric form under pressure. The existence of domains of the ferroelectric form within anti-ferroelectric ice can explain previously observed splittings in x-ray diffraction data. The ferroelectric form is stabilized by density and is accompanied by the onset of spontaneous polarization. The presence of local electric fields triggers the preferential parallel orientation of the water molecules in the structure, which could be stabilized in bulk using new high-pressure techniques.

  13. CuInP₂S₆ Room Temperature Layered Ferroelectric.

    Science.gov (United States)

    Belianinov, A; He, Q; Dziaugys, A; Maksymovych, P; Eliseev, E; Borisevich, A; Morozovska, A; Banys, J; Vysochanskii, Y; Kalinin, S V

    2015-06-10

    We explore ferroelectric properties of cleaved 2-D flakes of copper indium thiophosphate, CuInP2S6 (CITP), and probe size effects along with limits of ferroelectric phase stability, by ambient and ultra high vacuum scanning probe microscopy. CITP belongs to the only material family known to display ferroelectric polarization in a van der Waals, layered crystal at room temperature and above. Our measurements directly reveal stable, ferroelectric polarization as evidenced by domain structures, switchable polarization, and hysteresis loops. We found that at room temperature the domain structure of flakes thicker than 100 nm is similar to the cleaved bulk surfaces, whereas below 50 nm polarization disappears. We ascribe this behavior to a well-known instability of polarization due to depolarization field. Furthermore, polarization switching at high bias is also associated with ionic mobility, as evidenced both by macroscopic measurements and by formation of surface damage under the tip at a bias of 4 V-likely due to copper reduction. Mobile Cu ions may therefore also contribute to internal screening mechanisms. The existence of stable polarization in a van-der-Waals crystal naturally points toward new strategies for ultimate scaling of polar materials, quasi-2D, and single-layer materials with advanced and nonlinear dielectric properties that are presently not found in any members of the growing "graphene family".

  14. Insights into function of PSI domains from structure of the Met receptor PSI domain

    International Nuclear Information System (INIS)

    Kozlov, Guennadi; Perreault, Audrey; Schrag, Joseph D.; Park, Morag; Cygler, Miroslaw; Gehring, Kalle; Ekiel, Irena

    2004-01-01

    PSI domains are cysteine-rich modules found in extracellular fragments of hundreds of signaling proteins, including plexins, semaphorins, integrins, and attractins. Here, we report the solution structure of the PSI domain from the human Met receptor, a receptor tyrosine kinase critical for proliferation, motility, and differentiation. The structure represents a cysteine knot with short regions of secondary structure including a three-stranded antiparallel β-sheet and two α-helices. All eight cysteines are involved in disulfide bonds with the pattern consistent with that for the PSI domain from Sema4D. Comparison with the Sema4D structure identifies a structurally conserved core comprising the N-terminal half of the PSI domain. Interestingly, this part links adjacent SEMA and immunoglobulin domains in the Sema4D structure, suggesting that the PSI domain serves as a wedge between propeller and immunoglobulin domains and is responsible for the correct positioning of the ligand-binding site of the receptor

  15. Stress effects in ferroelectric perovskite thin-films

    Science.gov (United States)

    Zednik, Ricardo Johann

    The exciting class of ferroelectric materials presents the engineer with an array of unique properties that offer promise in a variety of applications; these applications include infra-red detectors ("night-vision imaging", pyroelectricity), micro-electro-mechanical-systems (MEMS, piezoelectricity), and non-volatile memory (NVM, ferroelectricity). Realizing these modern devices often requires perovskite-based ferroelectric films thinner than 100 nm. Two such technologically important material systems are (Ba,Sr)TiO3 (BST), for tunable dielectric devices employed in wireless communications, and Pb(Zr,Ti)O3 (PZT), for ferroelectric non-volatile memory (FeRAM). In general, the material behavior is strongly influenced by the mechanical boundary conditions imposed by the substrate and surrounding layers and may vary considerably from the known bulk behavior. A better mechanistic understanding of these effects is essential for harnessing the full potential of ferroelectric thin-films and further optimizing existing devices. Both materials share a common crystal structure and similar properties, but face unique challenges due to the design parameters of these different applications. Tunable devices often require very low dielectric loss as well as large dielectric tunability. Present results show that the dielectric response of BST thin-films can either resemble a dipole-relaxor or follow the accepted empirical Universal Relaxation Law (Curie-von Schweidler), depending on temperature. These behaviors in a single ferroelectric thin-film system are often thought to be mutually exclusive. In state-of-the-art high density FeRAM, the ferroelectric polarization is at least as important as the dielectric response. It was found that these properties are significantly affected by moderate biaxial tensile and compressive stresses which reversibly alter the ferroelastic domain populations of PZT at room temperature. The 90-degree domain wall motion observed by high resolution

  16. Crystal structure, dielectric, ferroelectric and energy storage properties of La-doped BaTiO3 semiconducting ceramics

    Directory of Open Access Journals (Sweden)

    Venkata Sreenivas Puli

    2015-09-01

    Full Text Available Polycrystalline La-doped BaTiO3 (Ba(1-xLax\tTiO3 [x=0,0.0005,0.001,0.003] ceramics (denoted as BTO,BLT1,BLT2,BLT3 were synthesized by conventional solid-state reaction method and characterized by X-ray diffraction (XRD, scanning electron microscopy (SEM, and Raman spectroscopy. XRD and Raman spectra revealed single-phase tetragonal perovskite crystalline structure. Well-saturated polarization–electric field (P–E hysteresis loops were observed with the measurement frequency of 50 Hz at room temperature and confirmed ferroelectric nature of these ceramics and a high recoverable electrical energy storage density of 0.350 J/cm3 with energy efficiency (n∼9%, which is useful in energy storage capacitor applications. Dielectric studies revealed anomalies around 415–420 K and near the Curie temperature. The latter is attributed to the ferroelectric to paraelectric phase transition. Better dielectric performances were obtained for La-doped samples sintered at 1350°C for 4 h. Grain growth is inhibited with lanthanum (La incorporation into the BTO lattice. Room temperature semiconducting behavior with positive temperature coefficient of resistivity (PTCR behavior at TC is attributed to electron compensation mechanism.

  17. Influence of UV light and heat on the ferroelectric properties of lithium niobate crystals

    Energy Technology Data Exchange (ETDEWEB)

    Steigerwald, Hendrik

    2011-08-15

    One of the most important non-linear-optical materials is lithium niobate, due to its ease of fabrication, robustness, transparency in the visible-to-infrared and excellent nonlinear properties. In this thesis the issue of tailoring ferroelectric domain structures in lithium niobate crystals is approached from two sides: interaction of defect structures inside the crystal with growing ferroelectric domains is investigated and also actual domain patterning on all crystal faces by different methods is performed. Special emphasis is given to the Mg-doped material. The fundamental understanding and the methods of domain patterning developed in this thesis are then used to obtain tailored domain structures that meet the requirements of their intended application in non-linear optics. (orig.)

  18. Control of analog ferroelectric states by small dc-bias in conjunction with fluctuating waveforms

    International Nuclear Information System (INIS)

    Ricinschi, Dan; Okuyama, Masanori

    2009-01-01

    In this paper we demonstrate several possibilities to create and control partially switched analog states of ferroelectric materials, from measurements on PZT capacitors. By employing various types of fluctuating waveforms and controlling the domain dynamics with dc bias of small intensities, we have shown that it is possible to generate sequences of analog ferroelectric states that may appear identical from macroscopic measurements, yet they are unique at the local level. The experimental results have been analyzed theoretically by a simple microscopic model of switching. According to the model simulations, each analog state can be associated with a domain structure that captures subtle variations of the previously applied electric field as well as structural information about the inhomogeneities at the local level. The generation and control of such partially switched analog states may be important for new applications of ferroelectric materials to multi-value memories or in the field of artificial intelligence.

  19. Effect of lateral methoxy substitution on mesomorphic and structural properties of ferroelectric liquid crystals

    Czech Academy of Sciences Publication Activity Database

    Bubnov, Alexej M.; Kašpar, Miroslav; Novotná, Vladimíra; Hamplová, Věra; Glogarová, Milada; Kapernaum, N.; Giesselmann, F.

    2008-01-01

    Roč. 35, č. 11 (2008), s. 1329-1337 ISSN 0267-8292 R&D Projects: GA ČR GA202/05/0431; GA AV ČR IAA100100710 Grant - others:DAAD-ASCR(XE) D11-CZ7/06-07; DAAD-ASCR(XE) D7-CZ8/08-09 Institutional research plan: CEZ:AV0Z10100520 Keywords : ferroelectric liquid crystal * chiral materials * x-ray diffraction * dielectric properties * layer shrinkage * spontaneous polarisation Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.132, year: 2008

  20. Identification of structural domains in proteins by a graph heuristic

    NARCIS (Netherlands)

    Wernisch, Lorenz; Hunting, M.M.G.; Wodak, Shoshana J.

    1999-01-01

    A novel automatic procedure for identifying domains from protein atomic coordinates is presented. The procedure, termed STRUDL (STRUctural Domain Limits), does not take into account information on secondary structures and handles any number of domains made up of contiguous or non-contiguous chain

  1. Strain engineering on structures and properties in ferroelectric thin films with perovskite structures

    Directory of Open Access Journals (Sweden)

    TANG Yanxue

    2015-08-01

    Full Text Available The class of Chaplygin gas models regarded as a candidate of dark energy can be realized by a scalar field,which could drive the variation of the fine structure constant α during the cosmic time.This phenomenon has been observed for almost ten years ago from the quasar absorption spectra and attracted many attentions.In this paper, the authors reconstruct the class of Chaplygin gas models to a kind of scalar fields and confront the resulting Δα/α with the observational constraints.It is found that if the present observational value of the equation of state of the dark energy was not exactly equal to -1, various parameters of the class of Chaplygin gas models are allowed to satisfy the observational constraints,as well as the equivalence principle is also respected.

  2. Ferroelectric capacitor with reduced imprint

    Science.gov (United States)

    Evans, Jr., Joseph T.; Warren, William L.; Tuttle, Bruce A.; Dimos, Duane B.; Pike, Gordon E.

    1997-01-01

    An improved ferroelectric capacitor exhibiting reduced imprint effects in comparison to prior art capacitors. A capacitor according to the present invention includes top and bottom electrodes and a ferroelectric layer sandwiched between the top and bottom electrodes, the ferroelectric layer comprising a perovskite structure of the chemical composition ABO.sub.3 wherein the B-site comprises first and second elements and a dopant element that has an oxidation state greater than +4. The concentration of the dopant is sufficient to reduce shifts in the coercive voltage of the capacitor with time. In the preferred embodiment of the present invention, the ferroelectric element comprises Pb in the A-site, and the first and second elements are Zr and Ti, respectively. The preferred dopant is chosen from the group consisting of Niobium, Tantalum, and Tungsten. In the preferred embodiment of the present invention, the dopant occupies between 1 and 8% of the B-sites.

  3. Structural and Histone Binding Ability Characterizations of Human PWWP Domains

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Hong; Zeng, Hong; Lam, Robert; Tempel, Wolfram; Amaya, Maria F.; Xu, Chao; Dombrovski, Ludmila; Qiu, Wei; Wang, Yanming; Min, Jinrong (Toronto); (Penn)

    2013-09-25

    The PWWP domain was first identified as a structural motif of 100-130 amino acids in the WHSC1 protein and predicted to be a protein-protein interaction domain. It belongs to the Tudor domain 'Royal Family', which consists of Tudor, chromodomain, MBT and PWWP domains. While Tudor, chromodomain and MBT domains have long been known to bind methylated histones, PWWP was shown to exhibit histone binding ability only until recently. The PWWP domain has been shown to be a DNA binding domain, but sequence analysis and previous structural studies show that the PWWP domain exhibits significant similarity to other 'Royal Family' members, implying that the PWWP domain has the potential to bind histones. In order to further explore the function of the PWWP domain, we used the protein family approach to determine the crystal structures of the PWWP domains from seven different human proteins. Our fluorescence polarization binding studies show that PWWP domains have weak histone binding ability, which is also confirmed by our NMR titration experiments. Furthermore, we determined the crystal structures of the BRPF1 PWWP domain in complex with H3K36me3, and HDGF2 PWWP domain in complex with H3K79me3 and H4K20me3. PWWP proteins constitute a new family of methyl lysine histone binders. The PWWP domain consists of three motifs: a canonical {beta}-barrel core, an insertion motif between the second and third {beta}-strands and a C-terminal {alpha}-helix bundle. Both the canonical {beta}-barrel core and the insertion motif are directly involved in histone binding. The PWWP domain has been previously shown to be a DNA binding domain. Therefore, the PWWP domain exhibits dual functions: binding both DNA and methyllysine histones.

  4. Morphology-dependent photo-induced polarization recovery in ferroelectric thin films

    Science.gov (United States)

    Wang, J. Y.; Liu, G.; Sando, D.; Nagarajan, V.; Seidel, J.

    2017-08-01

    We investigate photo-induced ferroelectric domain switching in a series of Pb(Zr0.2Ti0.8)O3/La0.7Sr0.3MnO3 (PZT/LSMO) bilayer thin films with varying surface morphologies by piezoresponse force microscopy under light illumination. We demonstrate that reverse poled ferroelectric regions can be almost fully recovered under laser irradiation of the PZT layer and that the recovery process is dependent on the surface morphology on the nanometer scale. The recovery process is well described by the Kolmogorov-Avrami-Ishibashi model, and the evolution speed is controlled by light intensity, sample thickness, and initial write voltage. Our findings shed light on optical control of the domain structure in ferroelectric thin films with different surface morphologies.

  5. Solution structure of leptospiral LigA4 Big domain

    Energy Technology Data Exchange (ETDEWEB)

    Mei, Song; Zhang, Jiahai [Hefei National Laboratory for Physical Sciences at Microscale, School of Life Sciences, University of Science and Technology of China, Hefei, Anhui 230026 (China); Zhang, Xuecheng [School of Life Sciences, Anhui University, Hefei, Anhui 230039 (China); Tu, Xiaoming, E-mail: xmtu@ustc.edu.cn [Hefei National Laboratory for Physical Sciences at Microscale, School of Life Sciences, University of Science and Technology of China, Hefei, Anhui 230026 (China)

    2015-11-13

    Pathogenic Leptospiraspecies express immunoglobulin-like proteins which serve as adhesins to bind to the extracellular matrices of host cells. Leptospiral immunoglobulin-like protein A (LigA), a surface exposed protein containing tandem repeats of bacterial immunoglobulin-like (Big) domains, has been proved to be involved in the interaction of pathogenic Leptospira with mammalian host. In this study, the solution structure of the fourth Big domain of LigA (LigA4 Big domain) from Leptospira interrogans was solved by nuclear magnetic resonance (NMR). The structure of LigA4 Big domain displays a similar bacterial immunoglobulin-like fold compared with other Big domains, implying some common structural aspects of Big domain family. On the other hand, it displays some structural characteristics significantly different from classic Ig-like domain. Furthermore, Stains-all assay and NMR chemical shift perturbation revealed the Ca{sup 2+} binding property of LigA4 Big domain. - Highlights: • Determining the solution structure of a bacterial immunoglobulin-like domain from a surface protein of Leptospira. • The solution structure shows some structural characteristics significantly different from the classic Ig-like domains. • A potential Ca{sup 2+}-binding site was identified by strains-all and NMR chemical shift perturbation.

  6. Solution structure of leptospiral LigA4 Big domain

    International Nuclear Information System (INIS)

    Mei, Song; Zhang, Jiahai; Zhang, Xuecheng; Tu, Xiaoming

    2015-01-01

    Pathogenic Leptospiraspecies express immunoglobulin-like proteins which serve as adhesins to bind to the extracellular matrices of host cells. Leptospiral immunoglobulin-like protein A (LigA), a surface exposed protein containing tandem repeats of bacterial immunoglobulin-like (Big) domains, has been proved to be involved in the interaction of pathogenic Leptospira with mammalian host. In this study, the solution structure of the fourth Big domain of LigA (LigA4 Big domain) from Leptospira interrogans was solved by nuclear magnetic resonance (NMR). The structure of LigA4 Big domain displays a similar bacterial immunoglobulin-like fold compared with other Big domains, implying some common structural aspects of Big domain family. On the other hand, it displays some structural characteristics significantly different from classic Ig-like domain. Furthermore, Stains-all assay and NMR chemical shift perturbation revealed the Ca"2"+ binding property of LigA4 Big domain. - Highlights: • Determining the solution structure of a bacterial immunoglobulin-like domain from a surface protein of Leptospira. • The solution structure shows some structural characteristics significantly different from the classic Ig-like domains. • A potential Ca"2"+-binding site was identified by strains-all and NMR chemical shift perturbation.

  7. Raman effect in ferroelectric Cd2Nb2O7 and in other crystals with pyrochlorine-type structure

    International Nuclear Information System (INIS)

    Pisarev, R.V.; Sinij, I.G.; Kuz'minov, E.G.; Myl'nikova, I.E.

    1976-01-01

    Vibrational structure of cadmium and lead pyroniobates and a number of other crystals with a pyrochlore structure has been investigated by Raman scattering. The scattering has been studied using a double monochromator, HeNe laser, and a photons counter. In the Raman spectrum of cadmium and lead pyroniobates three frequency band1 can be distinguished. In the spectrum of rhombohedral lead pyroniobate the band structure in resolved much better than in the spectrum of cubic cadmium pyroniobate. The spectrum of lead pyroniobate crystals doped with magnesium and zinc ions has a medium (in the sense of complexity) structure, because big lead ions deteriorate the pyrochlore structure but doping of lead pyroniobate with Mg 2+ and Zn 2+ ions improves it. More than six bands in the Raman spectrum is associated with the presence of impurities in cubic cadmium pyroniobate that deteriorate its cubic structure. The decrease of temperature leads to a big change of the Cd 2 Nb 2 O 7 spectrum. However, the spectrum of Pb 2 Nb 2 O 7 -Zn cubic crystal measured ar temperatures below 100 deg K remais unchanged. The chages of the Cd 2 Nb 2 O 7 spectrum are associated with phase transitions at 200 and 85 K and also with ferroelectric transition at 185 K

  8. Reversible and nonvolatile ferroelectric control of two-dimensional electronic transport properties of ZrCuSiAs-type copper oxyselenide thin films with a layered structure

    Science.gov (United States)

    Zhao, Xu-Wen; Gao, Guan-Yin; Yan, Jian-Min; Chen, Lei; Xu, Meng; Zhao, Wei-Yao; Xu, Zhi-Xue; Guo, Lei; Liu, Yu-Kuai; Li, Xiao-Guang; Wang, Yu; Zheng, Ren-Kui

    2018-05-01

    Copper-based ZrCuSiAs-type compounds of LnCuChO (Ln =Bi and lanthanides, Ch =S , Se, Te) with a layered crystal structure continuously attract worldwide attention in recent years. Although their high-temperature (T ≥ 300 K) electrical properties have been intensively studied, their low-temperature electronic transport properties are little known. In this paper, we report the integration of ZrCuSiAs-type copper oxyselenide thin films of B i0.94P b0.06CuSeO (BPCSO) with perovskite-type ferroelectric Pb (M g1 /3N b2 /3 ) O3-PbTi O3 (PMN-PT) single crystals in the form of ferroelectric field effect devices that allow us to control the electronic properties (e.g., carrier density, magnetoconductance, dephasing length, etc.) of BPCSO films in a reversible and nonvolatile manner by polarization switching at room temperature. Combining ferroelectric gating and magnetotransport measurements with the Hikami-Larkin-Nagaoka theory, we demonstrate two-dimensional (2D) electronic transport characteristics and weak antilocalization effect as well as strong carrier-density-mediated competition between weak antilocalization and weak localization in BPCSO films. Our results show that ferroelectric gating using PMN-PT provides an effective and convenient approach to probe the carrier-density-related 2D electronic transport properties of ZrCuSiAs-type copper oxyselenide thin films.

  9. Simulation of fatigue damage in ferroelectric polycrystals under mechanical/electrical loading

    Science.gov (United States)

    Kozinov, S.; Kuna, M.

    2018-07-01

    The reliability of smart-structures made of ferroelectric ceramics is essentially reduced by the formation of cracks under the action of external electrical and/or mechanical loading. In the current research a numerical model for low-cycle fatigue in ferroelectric mesostructures is proposed. In the finite element simulations a combination of two user element routines is utilized. The first one is used to model a micromechanical ferroelectric domain switching behavior inside the grains. The second one is used to simulate fatigue damage of grain boundaries by a cohesive zone model (EMCCZM) based on an electromechanical cyclic traction-separation law (TSL). For numerical simulations a scanning electron microscope image of the ceramic's grain structure was digitalized and meshed. The response of this mesostructure to cyclic electrical or mechanical loading is systematically analyzed. As a result of the simulations, the distribution of electric potential, field, displacement and polarization as well as mechanical stresses and deformations inside the grains are obtained. At the grain boundaries, the formation and evolution of damage are analyzed until final failure and induced degradation of electric permittivity. It is found that the proposed model correctly mimics polycrystalline behavior during poling processes and progressive damage under cyclic electromechanical loading. To the authors' knowledge, it is the first model and numerical analysis of ferroelectric polycrystals taking into account both domain reorientation and cohesive modeling of intergranular fracture. It can help to understand failure mechanisms taking place in ferroelectrics during fatigue processes.

  10. Phase diagrams of ferroelectric nanocrystals strained by an elastic matrix

    Science.gov (United States)

    Nikitchenko, A. I.; Azovtsev, A. V.; Pertsev, N. A.

    2018-01-01

    Ferroelectric crystallites embedded into a dielectric matrix experience temperature-dependent elastic strains caused by differences in the thermal expansion of the crystallites and the matrix. Owing to the electrostriction, these lattice strains may affect polarization states of ferroelectric inclusions significantly, making them different from those of a stress-free bulk crystal. Here, using a nonlinear thermodynamic theory, we study the mechanical effect of elastic matrix on the phase states of embedded single-domain ferroelectric nanocrystals. Their equilibrium polarization states are determined by minimizing a special thermodynamic potential that describes the energetics of an ellipsoidal ferroelectric inclusion surrounded by a linear elastic medium. To demonstrate the stability ranges of such states for a given material combination, we construct a phase diagram, where the inclusion’s shape anisotropy and temperature are used as two parameters. The ‘shape-temperature’ phase diagrams are calculated numerically for PbTiO3 and BaTiO3 nanocrystals embedded into representative dielectric matrices generating tensile (silica glass) or compressive (potassium silicate glass) thermal stresses inside ferroelectric inclusions. The developed phase maps demonstrate that the joint effect of thermal stresses and matrix-induced elastic clamping of ferroelectric inclusions gives rise to several important features in the polarization behavior of PbTiO3 and BaTiO3 nanocrystals. In particular, the Curie temperature displays a nonmonotonic variation with the ellipsoid’s aspect ratio, being minimal for spherical inclusions. Furthermore, the diagrams show that the polarization orientation with respect to the ellipsoid’s symmetry axis is controlled by the shape anisotropy and the sign of thermal stresses. Under certain conditions, the mechanical inclusion-matrix interaction qualitatively alters the evolution of ferroelectric states on cooling, inducing a structural transition

  11. Preparation and dielectric investigation of organic metal insulator semiconductor (MIS) structures with a ferroelectric polymer

    Energy Technology Data Exchange (ETDEWEB)

    Kalbitz, Rene; Fruebing, Peter; Gerhard, Reimund [Department of Physics and Astronomy, University of Potsdam (Germany); Taylor, Martin [School of Electronic Engineering, Bangor University (United Kingdom)

    2010-07-01

    Ferroelectric field effect transistors (FeFETs) offer the prospect of an organic-based memory device. Since the charge transport in the semiconductor is confined to the interface region between the insulator and the semiconductor, the focus of the present study was on the investigation of this region in metal-insulator-semiconductor (MIS) capacitors using dielectric spectroscopy. Capacitance-Voltage (C-V) measurements at different frequencies as well as capacitance-frequency (C-f) measurements after applying different poling voltages were carried out. The C-V measurements yielded information about the frequency dependence of the depletion layer width as well as the number of charges stored at the semiconductor/ insulator interface. The results are compared to numerical calculations based on a model introduced by S. L. Miller (JAP, 72(12), 1992). The C-f measurements revealed three main relaxation processes. An equivalent circuit has been developed to model the frequency response of the MIS capacitor. With this model the origin of the three relaxations may be deduced.

  12. Electric field control of deterministic current-induced magnetization switching in a hybrid ferromagnetic/ferroelectric structure

    Science.gov (United States)

    Cai, Kaiming; Yang, Meiyin; Ju, Hailang; Wang, Sumei; Ji, Yang; Li, Baohe; Edmonds, Kevin William; Sheng, Yu; Zhang, Bao; Zhang, Nan; Liu, Shuai; Zheng, Houzhi; Wang, Kaiyou

    2017-07-01

    All-electrical and programmable manipulations of ferromagnetic bits are highly pursued for the aim of high integration and low energy consumption in modern information technology. Methods based on the spin-orbit torque switching in heavy metal/ferromagnet structures have been proposed with magnetic field, and are heading toward deterministic switching without external magnetic field. Here we demonstrate that an in-plane effective magnetic field can be induced by an electric field without breaking the symmetry of the structure of the thin film, and realize the deterministic magnetization switching in a hybrid ferromagnetic/ferroelectric structure with Pt/Co/Ni/Co/Pt layers on PMN-PT substrate. The effective magnetic field can be reversed by changing the direction of the applied electric field on the PMN-PT substrate, which fully replaces the controllability function of the external magnetic field. The electric field is found to generate an additional spin-orbit torque on the CoNiCo magnets, which is confirmed by macrospin calculations and micromagnetic simulations.

  13. Experimental (155 K) and predicted (151 K) Curie temperature (Tc) of K2ZnBr4: structural confirmation of ferroelectric state below Tc

    International Nuclear Information System (INIS)

    Abrahams, S.C.

    1994-01-01

    The temperature T c at which K 2 ZnBr 4 is predicted to transform from the paraelectric to the ferroelectric phase is 151 (19) K, based on the crystal structure determinations at 291 and 144 K by Fabry, Breczewski, Zuniga and Arnaiz and the Abrahams-Kurtz-Jamieson relationship. A dielectric and heat-capacity anomaly in this material at 155 K has been reported elsewhere. The locations reported for the ZnBr 2- 4 and K + ions fulfill the requirements of mirror plane symmetry above T c ; ionic displacements along the polar direction that approach but do not exceed 0.1 A and that violate the mirror symmetry on cooling through T c form the basis of the prediction and satisfy the structural criteria for ferroelectricity in the phase below the transition. (orig.)

  14. Nucleation of domains under the influence of temperature in ...

    Indian Academy of Sciences (India)

    Abstract. It is found that the nucleation of domains can take place in Ba5Ti2O7Cl4 under the influence of temperature unlike in many other ferroelectrics. The nucleated domain can also be removed from the structure under the randomizing effect of tem- perature. These observations have been explained on the basis of a ...

  15. Structure of an isolated unglycosylated antibody CH2 domain

    International Nuclear Information System (INIS)

    Prabakaran, Ponraj; Vu, Bang K.; Gan, Jianhua; Feng, Yang; Dimitrov, Dimiter S.; Ji, Xinhua

    2008-01-01

    The crystal structure of an isolated unglycosylated antibody C H 2 domain has been determined at 1.7 Å resolution. The C H 2 (C H 3 for IgM and IgE) domain of an antibody plays an important role in mediating effector functions and preserving antibody stability. It is the only domain in human immunoglobulins (Igs) which is involved in weak interchain protein–protein interactions with another C H 2 domain solely through sugar moieties. The N-linked glycosylation at Asn297 is conserved in mammalian IgGs as well as in homologous regions of other antibody isotypes. To examine the structural details of the C H 2 domain in the absence of glycosylation and other antibody domains, the crystal structure of an isolated unglycosylated antibody γ1 C H 2 domain was determined at 1.7 Å resolution and compared with corresponding C H 2 structures from intact Fc, IgG and Fc receptor complexes. Furthermore, the oligomeric state of the protein in solution was studied using size-exclusion chromatography. The results suggested that the unglycosylated human antibody C H 2 domain is a monomer and that its structure is similar to that found in the intact Fc, IgG and Fc receptor complex structures. However, certain structural variations were observed in the Fc receptor-binding sites. Owing to its small size, stability and non-immunogenic Ig template, the C H 2-domain structure could be useful for the development by protein design of antibody domains exerting effector functions and/or antigen specificity and as a robust scaffold in protein-engineering applications

  16. Study of domain structure in segmented polyether polyurethaneureas by PAT

    International Nuclear Information System (INIS)

    Yin Chuanyuan; Xu Weizheng; Gu Qingchao

    1990-01-01

    The domain structure of segmented polyether polyurethaneureas is investigated by means of positron annihilation technique, small angle X-ray scattering and differential scanning calorimetry. The experimental results show that the decrease of domain volume and free volume results from the increase of hard segment contents, and that the increase of domain volume and free volume results from the increase of molecular weight of soft segments

  17. Structural and functional analysis of multi-interface domains.

    Directory of Open Access Journals (Sweden)

    Liang Zhao

    Full Text Available A multi-interface domain is a domain that can shape multiple and distinctive binding sites to contact with many other domains, forming a hub in domain-domain interaction networks. The functions played by the multiple interfaces are usually different, but there is no strict bijection between the functions and interfaces as some subsets of the interfaces play the same function. This work applies graph theory and algorithms to discover fingerprints for the multiple interfaces of a domain and to establish associations between the interfaces and functions, based on a huge set of multi-interface proteins from PDB. We found that about 40% of proteins have the multi-interface property, however the involved multi-interface domains account for only a tiny fraction (1.8% of the total number of domains. The interfaces of these domains are distinguishable in terms of their fingerprints, indicating the functional specificity of the multiple interfaces in a domain. Furthermore, we observed that both cooperative and distinctive structural patterns, which will be useful for protein engineering, exist in the multiple interfaces of a domain.

  18. Structure of synaptophysin: a hexameric MARVEL-domain channel protein.

    Science.gov (United States)

    Arthur, Christopher P; Stowell, Michael H B

    2007-06-01

    Synaptophysin I (SypI) is an archetypal member of the MARVEL-domain family of integral membrane proteins and one of the first synaptic vesicle proteins to be identified and cloned. Most all MARVEL-domain proteins are involved in membrane apposition and vesicle-trafficking events, but their precise role in these processes is unclear. We have purified mammalian SypI and determined its three-dimensional (3D) structure by using electron microscopy and single-particle 3D reconstruction. The hexameric structure resembles an open basket with a large pore and tenuous interactions within the cytosolic domain. The structure suggests a model for Synaptophysin's role in fusion and recycling that is regulated by known interactions with the SNARE machinery. This 3D structure of a MARVEL-domain protein provides a structural foundation for understanding the role of these important proteins in a variety of biological processes.

  19. Lithium niobate. Defects, photorefraction and ferroelectric switching

    Energy Technology Data Exchange (ETDEWEB)

    Volk, Tatyana [Russian Academy of Sciences, Inst. for Crystallography, Moscow (Russian Federation); Woehlecke, Manfred [Osnabrueck Univ. (Germany). Fachbereich Physik

    2008-07-01

    The book presents the current state of studies of point defects, both intrinsic and extrinsic (impurities, radiation centers, etc.), in LiNbO{sub 3}. The contribution of intrinsic defects to photoinduced charge transport, i.e. to the photorefraction, is explained. The photorefractive and optical properties of LiNbO{sub 3} crystals with different stoichiometry and of those doped with so-called ''optical-damage resistant'' impurities controlling the intrinsic defect structure are described in detail. Applications included are to the problem of non-erasable recording of photorefractive holograms in LiNbO{sub 3} and the current situation of studies in the ferroelectric switching and domain structure of LiNbO{sub 3}, as well as the creation of periodically-poled structures for the optical frequency conversion. (orig.)

  20. Structural, dielectric and ferroelectric properties of (Bi,Na)TiO{sub 3}–BaTiO{sub 3} system studied by high throughput screening

    Energy Technology Data Exchange (ETDEWEB)

    Hayden, Brian E. [Ilika Technologies Plc., Kenneth Dibben House, Enterprise Road, University of Southampton Science Park, Chilworth, Southampton SO16 7NS (United Kingdom); Department of Chemistry, University of Southampton, Highfield, Southampton SO17 1BJ (United Kingdom); Yakovlev, Sergey, E-mail: sergey.yakovlev@ilika.com [Ilika Technologies Plc., Kenneth Dibben House, Enterprise Road, University of Southampton Science Park, Chilworth, Southampton SO16 7NS (United Kingdom)

    2016-03-31

    Thin-film materials libraries of the Bi{sub 2}O{sub 3}–Na{sub 2}O–TiO{sub 2}–BaO system in a broad composition range have been deposited in ultra-high vacuum from elemental evaporation sources and an oxygen plasma source. A high throughput approach was used for systematic compositional and structural characterization and the screening of the dielectric and ferroelectric properties. The perovskite (Bi,Na)TiO{sub 3}–BaTiO{sub 3} phase with a Ba concentration near the morphotropic phase boundary (ca. 6 at.%) exhibited a relative dielectric permittivity of 180, a loss tangent of 0.04 and remnant polarization of 19 μC/cm{sup 2}. Compared to published data, observed remnant polarization is close to that known for epitaxially grown films but higher than the values reported for polycrystalline films. The high throughput methodology and systematic nature of the study allowed us to establish the composition boundaries of the phase with optimal dielectric and ferroelectric characteristics. - Highlights: • Bi{sub 2}O{sub 3}–Na{sub 2}O–TiO{sub 2}–BaO high throughput materials library was deposited using PVD method. • Materials were processed from individual molecular beam epitaxy sources of elements. • High throughput approach was used for structural, dielectric and ferroelectric study. • Composition boundaries of perovskite compounds with optimum properties are reported.

  1. Structural, dielectric and ferroelectric properties of (Bi,Na)TiO3–BaTiO3 system studied by high throughput screening

    International Nuclear Information System (INIS)

    Hayden, Brian E.; Yakovlev, Sergey

    2016-01-01

    Thin-film materials libraries of the Bi 2 O 3 –Na 2 O–TiO 2 –BaO system in a broad composition range have been deposited in ultra-high vacuum from elemental evaporation sources and an oxygen plasma source. A high throughput approach was used for systematic compositional and structural characterization and the screening of the dielectric and ferroelectric properties. The perovskite (Bi,Na)TiO 3 –BaTiO 3 phase with a Ba concentration near the morphotropic phase boundary (ca. 6 at.%) exhibited a relative dielectric permittivity of 180, a loss tangent of 0.04 and remnant polarization of 19 μC/cm 2 . Compared to published data, observed remnant polarization is close to that known for epitaxially grown films but higher than the values reported for polycrystalline films. The high throughput methodology and systematic nature of the study allowed us to establish the composition boundaries of the phase with optimal dielectric and ferroelectric characteristics. - Highlights: • Bi 2 O 3 –Na 2 O–TiO 2 –BaO high throughput materials library was deposited using PVD method. • Materials were processed from individual molecular beam epitaxy sources of elements. • High throughput approach was used for structural, dielectric and ferroelectric study. • Composition boundaries of perovskite compounds with optimum properties are reported.

  2. Effects of annealing temperature on the structures, ferroelectric and magnetic properties of Aurivillius Bi5Ti3FeO15 polycrystalline films

    International Nuclear Information System (INIS)

    Bai, W.; Zhu, J.Y.; Wang, J.L.; Lin, T.; Yang, J.; Meng, X.J.; Tang, X.D.; Zhu, Z.Q.; Chu, J.H

    2012-01-01

    The effects of annealing temperature on the structures, ferroelectric and magnetic properties of Aurivillius layer-structured Bi 5 Ti 3 FeO 15 (BTF) films were investigated. It was found that an annealing temperature above 625 °C can lead to the appearance of Bi 4 Ti 3 O 12 (BiT) secondary phase on Pt substrates. The reduction of the grain sizes was simultaneously confirmed by X-ray diffraction and atomic force microscopy with the introduction of the BiT phase. Moreover, the remanent polarization and coercive field of the BTF films were dramatically enhanced with the introduction of the BiT phase. Improved ferromagnetism for the BTF films was demonstrated upon increasing annealing temperature. Our data indicated that the ferroelectricity strongly correlated with the growth orientation of the BTF films. Finally, the possible factors for the obvious increase of the remanent polarization and coercive field, and the possible reasons for the enhanced ferromagnetic properties were discussed with increasing annealing temperature. - Highlights: ► Effects of annealing temperature on physical properties of BTF films were studied. ► Improved multiferroic properties were shown with annealing temperature. ► Ferroelectricity strongly depended on the growth orientation of the BTF films. ► Possible factors were proposed to explain the improved multiferroic properties.

  3. Study of the structure, dielectric and ferroelectric behavior of BaBi{sub 4+δ}Ti{sub 4}O{sub 15} ceramics

    Energy Technology Data Exchange (ETDEWEB)

    Khokhar, Anita, E-mail: mails4anita@gmail.com, E-mail: goyalphy@gmail.com; Goyal, Parveen K., E-mail: mails4anita@gmail.com, E-mail: goyalphy@gmail.com; Sreenivas, K. [Department of Physics & Astrophysics, University of Delhi, Delhi-110 007 (India); Thakur, O. P. [Electroceramics Group, Solid State Physics Laboratory, Lucknow Road, Delhi 110 054 (India)

    2016-05-23

    The structure and ferroelectric properties of excess bismuth doped barium bismuth titanate BaBi{sub 4+δ}Ti{sub 4}O{sub 15} (δ = 2 - 10 wt.%)) ceramics prepared by solid-state reaction method have been investigated. X-ray diffraction (XRD) confirms the formation of a single phase material with a change in the orthorhombic distortion with varying excess of bismuth content. There is no change in the phase transition temperature (T{sub m}) while the relaxor behaviour has been modified significantly with excess of bismuth doping. Saturated hysteresis loops with high remnant polarization (P{sub r} ~ 12.5  µC/cm{sup 2}), low coercive fields (E{sub c} ~ 26 kV/cm) are measured and a high piezoelectric coefficient (d{sub 33} ~ 29 pC/N) is achieved in poled BaBi{sub 4}Ti{sub 4}O{sub 15} ceramics prepared with up to 8 wt.% of excess bismuth oxide. The improvement in the ferroelectric properties with increase in the excess bismuth content in BaBi{sub 4}Ti{sub 4}O{sub 15} ceramics has been explained in terms of changing oxygen vacancy concentration and structural relaxation. Tunable ferroelectric materials can be obtained by manipulating the doping amount of excess bismuth.

  4. Study of the structure, dielectric and ferroelectric behavior of BaBi_4_+_δTi_4O_1_5 ceramics

    International Nuclear Information System (INIS)

    Khokhar, Anita; Goyal, Parveen K.; Sreenivas, K.; Thakur, O. P.

    2016-01-01

    The structure and ferroelectric properties of excess bismuth doped barium bismuth titanate BaBi_4_+_δTi_4O_1_5 (δ = 2 - 10 wt.%)) ceramics prepared by solid-state reaction method have been investigated. X-ray diffraction (XRD) confirms the formation of a single phase material with a change in the orthorhombic distortion with varying excess of bismuth content. There is no change in the phase transition temperature (T_m) while the relaxor behaviour has been modified significantly with excess of bismuth doping. Saturated hysteresis loops with high remnant polarization (P_r ~ 12.5  µC/cm"2), low coercive fields (E_c ~ 26 kV/cm) are measured and a high piezoelectric coefficient (d_3_3 ~ 29 pC/N) is achieved in poled BaBi_4Ti_4O_1_5 ceramics prepared with up to 8 wt.% of excess bismuth oxide. The improvement in the ferroelectric properties with increase in the excess bismuth content in BaBi_4Ti_4O_1_5 ceramics has been explained in terms of changing oxygen vacancy concentration and structural relaxation. Tunable ferroelectric materials can be obtained by manipulating the doping amount of excess bismuth.

  5. Study of the structure and ferroelectric behavior of BaBi{sub 4-x}La{sub x}Ti{sub 4}O{sub 15} ceramics

    Energy Technology Data Exchange (ETDEWEB)

    Khokhar, Anita, E-mail: mails4anita@gmail.com; Sreenivas, K. [Department of Physics & Astrophysics, University of Delhi, Delhi-110 007 (India); Goyal, Parveen K. [Department of Physics, ARSD College, University of Delhi, Dhaula Kuan, New Delhi-110 021 (India); Thakur, O. P. [Electroceramics Group, Solid State Physics Laboratory, Lucknow Road, Delhi 110 054 (India)

    2015-06-24

    The structure and ferroelectric properties of Lanthanum substituted barium bismuth titanate BaBi{sub 4-x}La{sub x}Ti{sub 4}O{sub 15} (0 ≤ x ≤ 0.5) ceramics prepared by solid-state reaction method have been investigated. X-ray diffraction (XRD) confirms the formation of a single phase material. The distribution of lanthanum into the perovskite layers and (Bi{sub 2}O{sub 2}){sup 2+} layers of BaBi{sub 4}Ti{sub 4}O{sub 15} ceramics have been revealed through Raman spectroscopy. At lower value of x, it is seen that La{sup 3+} ions prefer to substitute A-site Bi{sup 3+} ions in the perovskite layers while for higher x values, La{sup 3+} ions get incorporated into the (Bi{sub 2}O{sub 2}){sup 2+} layers. A critical La content of x ∼ 0.2 in BaBi{sub 4-x}La{sub x}Ti{sub 4}O{sub 15} is seen to exhibit a large remnant polarization (P{sub r}) with low coercive field (E{sub c}). The improvement in the ferroelectric properties of La substituted BaBi{sub 4}Ti{sub 4}O{sub 15} ceramics has been explained in terms of changing oxygen vacancy concentration and structural relaxation. Tunable ferroelectric materials can be obtained by manipulating the doping amount of lanthanum ion.

  6. Structural and ferroelectric properties of Sr1−xBaxBi2Nb2O9 thin films obtained by dip-coating

    Directory of Open Access Journals (Sweden)

    Y. González-Abreu

    2017-10-01

    Full Text Available The paper presents the structural and ferroelectric results for Sr1−xBaxBi2Nb2O9(x=0.30; 0.85 thin films, which were obtained by using dip-coating. The solutions containing the desirable ions were prepared from the powders of the previous studied ceramic samples. The films were deposited at room temperature on Fluorine-doped Tin Oxide (FTO substrates and submitted to a heat treatment for crystallization. The films were characterized by using scanning microscopy electronic, energy dispersive spectroscopy and ellipsometry. Hysteresis ferroelectric loops were obtained, at room temperature, by using a Sawyer-Tower circuit at several frequencies. A well-defined grain structure was observed for both compositions. The energy dispersive spectroscopy (EDS measurements revealed the presence of the corresponding elements from the chemical composition of the ceramic systems. The band-gap energy was around 3.3eV for both samples. Typical hysteresis loops for normal and relaxor ferroelectrics were obtained for x=0.30 and 0.85, respectively.

  7. Quantifying information transfer by protein domains: Analysis of the Fyn SH2 domain structure

    Directory of Open Access Journals (Sweden)

    Serrano Luis

    2008-10-01

    Full Text Available Abstract Background Efficient communication between distant sites within a protein is essential for cooperative biological response. Although often associated with large allosteric movements, more subtle changes in protein dynamics can also induce long-range correlations. However, an appropriate formalism that directly relates protein structural dynamics to information exchange between functional sites is still lacking. Results Here we introduce a method to analyze protein dynamics within the framework of information theory and show that signal transduction within proteins can be considered as a particular instance of communication over a noisy channel. In particular, we analyze the conformational correlations between protein residues and apply the concept of mutual information to quantify information exchange. Mapping out changes of mutual information on the protein structure then allows visualizing how distal communication is achieved. We illustrate the approach by analyzing information transfer by the SH2 domain of Fyn tyrosine kinase, obtained from Monte Carlo dynamics simulations. Our analysis reveals that the Fyn SH2 domain forms a noisy communication channel that couples residues located in the phosphopeptide and specificity binding sites and a number of residues at the other side of the domain near the linkers that connect the SH2 domain to the SH3 and kinase domains. We find that for this particular domain, communication is affected by a series of contiguous residues that connect distal sites by crossing the core of the SH2 domain. Conclusion As a result, our method provides a means to directly map the exchange of biological information on the structure of protein domains, making it clear how binding triggers conformational changes in the protein structure. As such it provides a structural road, next to the existing attempts at sequence level, to predict long-range interactions within protein structures.

  8. Structure of the fully ferroelectric/fully ferroelastic orthohombic room-temperature phase of cobalt bromine boracite, Co[sub 3]B[sub 7]O[sub 13]Br and nickel chlorine boracite, Ni[sub 3]B[sub 7]O[sub 13]Cl

    Energy Technology Data Exchange (ETDEWEB)

    Kubel, F; Mao, S Y; Schmid, H [Dept. de Chemie Minerale, Analytique et Applique, Geneva Univ. (Switzerland)

    1992-07-15

    The X-ray crystal structures of optically controlled single-domain crystals of fully ferroelectric/fully ferroelastic cobalt bromine boracite, Co[sub 3]B[sub 7]O[sub 13]Br (Co-Br) at 298 K [M[sub r] = 540.38, orthorhombic, Pca2[sub 1], a = 8.5614 (2), b = 8.5657 (2), c = 12.1196 (3) A, V = 888.78 (4) A[sup 3], Z = 4, D[sub x] = 4.04 Mg m[sup -3], [lambda](Mo K[alpha]) = 0.7107 A, [mu] = 10.61 mm[sup -1], F(000) = 1020, R = 7.0, wR = 5.4%, 2824 reflections] and of nickel chlorine boracite, Ni[sub 3]B[sub 7]O[sub 13]Cl (Ni-Cl) at 298 K [M[sub r] = 495.25, orthorhombic, Pca2[sub 1], a = 8.5105 (4), b = 8.4984 (4), c = 12.0324 (5) A, V = 870.25 (7) A[sup 3], Z = 4, D[sub x] = 3.78 Mg m[sup -3], [lambda](Mo K[alpha]) = 0.7107 A, [mu] = 6.8 mm[sup -1], F(000) = 960, R = 3.5, wR = 3.1%, 2082 reflections] are reported. The metal surroundings of Co-Br and Ni-Cl were analyzed in detail and show two metal sites (Co2, Co3; Ni2, Ni3) with chemically similar environments and one metal site (Co1; Ni1) with a different environment. Six B atoms have a tetrahedral or slightly distorted tetrahedral coordination, whereas one B atom (B4) has triangular surroundings in both compounds. (orig.).

  9. Same but not alike: Structure, flexibility and energetics of domains in multi-domain proteins are influenced by the presence of other domains.

    Science.gov (United States)

    Vishwanath, Sneha; de Brevern, Alexandre G; Srinivasan, Narayanaswamy

    2018-02-01

    The majority of the proteins encoded in the genomes of eukaryotes contain more than one domain. Reasons for high prevalence of multi-domain proteins in various organisms have been attributed to higher stability and functional and folding advantages over single-domain proteins. Despite these advantages, many proteins are composed of only one domain while their homologous domains are part of multi-domain proteins. In the study presented here, differences in the properties of protein domains in single-domain and multi-domain systems and their influence on functions are discussed. We studied 20 pairs of identical protein domains, which were crystallized in two forms (a) tethered to other proteins domains and (b) tethered to fewer protein domains than (a) or not tethered to any protein domain. Results suggest that tethering of domains in multi-domain proteins influences the structural, dynamic and energetic properties of the constituent protein domains. 50% of the protein domain pairs show significant structural deviations while 90% of the protein domain pairs show differences in dynamics and 12% of the residues show differences in the energetics. To gain further insights on the influence of tethering on the function of the domains, 4 pairs of homologous protein domains, where one of them is a full-length single-domain protein and the other protein domain is a part of a multi-domain protein, were studied. Analyses showed that identical and structurally equivalent functional residues show differential dynamics in homologous protein domains; though comparable dynamics between in-silico generated chimera protein and multi-domain proteins were observed. From these observations, the differences observed in the functions of homologous proteins could be attributed to the presence of tethered domain. Overall, we conclude that tethered domains in multi-domain proteins not only provide stability or folding advantages but also influence pathways resulting in differences in

  10. Ferroelectricity in undoped hafnium oxide

    International Nuclear Information System (INIS)

    Polakowski, Patrick; Müller, Johannes

    2015-01-01

    We report the observation of ferroelectric characteristics in undoped hafnium oxide thin films in a thickness range of 4–20 nm. The undoped films were fabricated using atomic layer deposition (ALD) and embedded into titanium nitride based metal-insulator-metal (MIM) capacitors for electrical evaluation. Structural as well as electrical evidence for the appearance of a ferroelectric phase in pure hafnium oxide was collected with respect to film thickness and thermal budget applied during titanium nitride electrode formation. Using grazing incidence X-Ray diffraction (GIXRD) analysis, we observed an enhanced suppression of the monoclinic phase fraction in favor of an orthorhombic, potentially, ferroelectric phase with decreasing thickness/grain size and for a titanium nitride electrode formation below crystallization temperature. The electrical presence of ferroelectricity was confirmed using polarization measurements. A remanent polarization P r of up to 10 μC cm −2 as well as a read/write endurance of 1.6 × 10 5 cycles was measured for the pure oxide. The experimental results reported here strongly support the intrinsic nature of the ferroelectric phase in hafnium oxide and expand its applicability beyond the doped systems

  11. Ferroelectric Electron Emission Principles and Technology

    CERN Document Server

    Riege, H

    1997-01-01

    The spontaneous electrical polarization of ferroelectric materials can be changed either by reversal or by phase transition from a ferroelectric into a non-ferroelectric state or vice versa. If spontaneous polarization changes are induced with fast heat, mechanical pressure, laser or electric field pulses on a submicrosecond time scale, strong uncompensated surface charge densities and related polarization fields are generated, which may lead to the intense self-emission of electrons from the negatively charged free surface areas of the ferroelectric sample. Hence, electron guns can be built with extraction-field-free ferroelectric cathodes, which may be easily separated from the high-field regions of post-accelerating gap structures. The intensity, the energy, the temporal and spatial distribution, and the repetitition rate of the emitted electron beams can be controlled within wide limits via the excitation pulses and external focusing and accelerating electromagnetic fields. The technological advantages an...

  12. An Algebro-Topological Description of Protein Domain Structure

    Science.gov (United States)

    Penner, Robert Clark; Knudsen, Michael; Wiuf, Carsten; Andersen, Jørgen Ellegaard

    2011-01-01

    The space of possible protein structures appears vast and continuous, and the relationship between primary, secondary and tertiary structure levels is complex. Protein structure comparison and classification is therefore a difficult but important task since structure is a determinant for molecular interaction and function. We introduce a novel mathematical abstraction based on geometric topology to describe protein domain structure. Using the locations of the backbone atoms and the hydrogen bonds, we build a combinatorial object – a so-called fatgraph. The description is discrete yet gives rise to a 2-dimensional mathematical surface. Thus, each protein domain corresponds to a particular mathematical surface with characteristic topological invariants, such as the genus (number of holes) and the number of boundary components. Both invariants are global fatgraph features reflecting the interconnectivity of the domain by hydrogen bonds. We introduce the notion of robust variables, that is variables that are robust towards minor changes in the structure/fatgraph, and show that the genus and the number of boundary components are robust. Further, we invesigate the distribution of different fatgraph variables and show how only four variables are capable of distinguishing different folds. We use local (secondary) and global (tertiary) fatgraph features to describe domain structures and illustrate that they are useful for classification of domains in CATH. In addition, we combine our method with two other methods thereby using primary, secondary, and tertiary structure information, and show that we can identify a large percentage of new and unclassified structures in CATH. PMID:21629687

  13. The Rayleigh law in silicon doped hafnium oxide ferroelectric thin films

    International Nuclear Information System (INIS)

    Guan, Yan; Liu, Xiaohua; Zhou, Dayu; Xu, Jin; Cao, Fei; Dong, Xianlin; Mueller, Johannes; Schenk, Tony; Schroeder, Uwe

    2015-01-01

    A wealth of studies have confirmed that the low-field hysteresis behaviour of ferroelectric bulk ceramics and thin films can be described using Rayleigh relations, and irreversible domain wall motion across the array of pining defects has been commonly accepted as the underlying micro-mechanism. Recently, HfO 2 thin films incorporated with various dopants were reported to show pronounced ferroelectricity, however, their microscopic domain structure remains unclear till now. In this work, the effects of the applied electric field amplitude, frequency and temperature on the sub-coercive polarization reversal properties were investigated for 10 nm thick Si-doped HfO 2 thin films. The applicability of the Rayleigh law to ultra-thin ferroelectric films was first confirmed, indicating the existence of a multi-domain structure. Since the grain size is about 20-30 nm, a direct observation of domain walls within the grains is rather challenging and this indirect method is a feasible approach to resolve the domain structure. (copyright 2015 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  14. The Rayleigh law in silicon doped hafnium oxide ferroelectric thin films

    Energy Technology Data Exchange (ETDEWEB)

    Guan, Yan; Liu, Xiaohua [Key Laboratory of Materials Modification by Laser, Ion, and Electron Beams (Ministry of Education), School of Materials Science and Engineering, Dalian University of Technology, Dalian (China); Zhou, Dayu [Key Laboratory of Materials Modification by Laser, Ion, and Electron Beams (Ministry of Education), School of Materials Science and Engineering, Dalian University of Technology, Dalian (China); State Key Laboratory of Electronic Thin Films and Integrated Devices, University of Electronic Science and Technology of China, Chengdu (China); Xu, Jin [Department of Electronic Engineering, Dalian Neusoft University of Information, Dalian (China); Cao, Fei; Dong, Xianlin [Key Laboratory of Inorganic Functional Materials and Devices, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai (China); Mueller, Johannes [Fraunhofer IPMS-CNT, Dresden (Germany); Schenk, Tony; Schroeder, Uwe [NaMLab gGmbH/TU Dresden (Germany)

    2015-10-15

    A wealth of studies have confirmed that the low-field hysteresis behaviour of ferroelectric bulk ceramics and thin films can be described using Rayleigh relations, and irreversible domain wall motion across the array of pining defects has been commonly accepted as the underlying micro-mechanism. Recently, HfO{sub 2} thin films incorporated with various dopants were reported to show pronounced ferroelectricity, however, their microscopic domain structure remains unclear till now. In this work, the effects of the applied electric field amplitude, frequency and temperature on the sub-coercive polarization reversal properties were investigated for 10 nm thick Si-doped HfO{sub 2} thin films. The applicability of the Rayleigh law to ultra-thin ferroelectric films was first confirmed, indicating the existence of a multi-domain structure. Since the grain size is about 20-30 nm, a direct observation of domain walls within the grains is rather challenging and this indirect method is a feasible approach to resolve the domain structure. (copyright 2015 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  15. Ferroelectric, magnetic and structural studies of the Bi{sub 4}LaSmFe{sub 2}Ti{sub 3}O{sub 18} multiferroic material

    Energy Technology Data Exchange (ETDEWEB)

    Alarcón-Suesca, C.E. [Fachgebiet Synthese und Charakterisierung Innovatiert Materialien, Chemistry Department, Technische Universität München, Lichtenbergstrasse D-85748, Garching (Germany); Grupo de Física de Nuevos Materiales, Departamento de Física, Universidad Nacional de Colombia, AA 5997 Bogotá DC (Colombia); Cardona-Vásquez, J.A. [Grupo de Física de Nuevos Materiales, Departamento de Física, Universidad Nacional de Colombia, AA 5997 Bogotá DC (Colombia); Salcedo-Fontecha, J.P.; Vargas-Jiménez, A. [Maestría en Ciencias Física, Departamento de Física, Universidad Nacional de Colombia, AA 5997 Bogotá DC (Colombia); Landínez-Téllez, D.A.; Roa-Rojas, J. [Grupo de Física de Nuevos Materiales, Departamento de Física, Universidad Nacional de Colombia, AA 5997 Bogotá DC (Colombia)

    2014-12-15

    We report the synthesis and characterization of the new Bi{sub 4}LaSmFe{sub 2}Ti{sub 3}O{sub 18} ferroelectric ceramic. X-ray characterization reveals reflections for layered perovskite Aurivillius system. Rietveld analyses of the powder pattern shows that Bi{sub 4}LaSmFe{sub 2}Ti{sub 3}O{sub 18} crystallizes in orthorhombic structure, which corresponds to the space group F2/mm (#42), with lattice parameters a=5.4240(16) Ǻ, b=5.4078(23) Ǻ and c=50.2440(12) Ǻ. Scanning electron microscopy (SEM) reveals the formation of dense material with plate-like morphology. Electric polarization curves were measured by means of a radiant ferroelectric tester, at room temperature in bulk samples and exhibit an intrinsic ferroelectric response, even at low applied fields. Measurements of the magnetization as a function of temperature after Zero field cooling and field cooling were carried out by using a MPMS Quantum Design SQUID magnetometer. We found an effective magnetic moment of 7.95 µB, which is 95.8% in agreement with the expected value calculated from Hund's rules. Magnetization curves as the function of applied fields reveal an incipient hysteretic behavior at room temperature.

  16. Ferroelectric ultrathin perovskite films

    Science.gov (United States)

    Rappe, Andrew M; Kolpak, Alexie Michelle

    2013-12-10

    Disclosed herein are perovskite ferroelectric thin-film. Also disclosed are methods of controlling the properties of ferroelectric thin films. These films can be used in a variety materials and devices, such as catalysts and storage media, respectively.

  17. Comparative structural analysis of lipid binding START domains.

    Directory of Open Access Journals (Sweden)

    Ann-Gerd Thorsell

    Full Text Available Steroidogenic acute regulatory (StAR protein related lipid transfer (START domains are small globular modules that form a cavity where lipids and lipid hormones bind. These domains can transport ligands to facilitate lipid exchange between biological membranes, and they have been postulated to modulate the activity of other domains of the protein in response to ligand binding. More than a dozen human genes encode START domains, and several of them are implicated in a disease.We report crystal structures of the human STARD1, STARD5, STARD13 and STARD14 lipid transfer domains. These represent four of the six functional classes of START domains.Sequence alignments based on these and previously reported crystal structures define the structural determinants of human START domains, both those related to structural framework and those involved in ligand specificity.This article can also be viewed as an enhanced version in which the text of the article is integrated with interactive 3D representations and animated transitions. Please note that a web plugin is required to access this enhanced functionality. Instructions for the installation and use of the web plugin are available in Text S1.

  18. Crystallization behavior and domain structure in textured Pb(Zr0.52Ti0.48)O3 thin films by different annealing processes

    International Nuclear Information System (INIS)

    Huang, W.; Jiang, S.W.; Li, Y.R.; Zhu, J.; Zhang, Y.; Wei, X.H.; Zeng, H.Z.

    2006-01-01

    Amorphous Pb(Zr 0.52 Ti 0.48 )O 3 (PZT) thin films were prepared on the Pt/Ti/SiO 2 /Si substrates by radio-frequency magnetron sputtering at room temperature. After rapid thermal annealing (RTA) and conventional furnace annealing (CFA) at different temperatures, the films were transformed into polycrystalline PZT thin films with (111) and (100) orientation, respectively. The phase formation and ferroelectric domains correlated with different orientation were systematically investigated by X-ray diffraction and piezoresponse force microscopy. The results showed that the perovskite PZT crystal with [111] orientation hetero-nucleated preferentially on top of the PtPb intermetallic phase at the PZT/Pt interface during RTA process. It is of interest to find that the domain self-organized into a structure with rounded shape at the early stage of crystallization. While the nucleation of the films treated by CFA dominantly homo-nucleated, thus the (100) orientation grains with minimum surface energy were easy to grow. The texture effects on ferroelectric properties of PZT films were also discussed in relation to the domain structure

  19. Enhanced functional and structural domain assignments using

    Indian Academy of Sciences (India)

    Unknown

    using remote similarity detection procedures for proteins encoded in the genome of Mycobacterium tuberculosis H37Rv” (J. Biosci. 29 (3) 245–. 259, 2004) by Seema Namboori, Natasha Mhatre, Sentivel Sujatha,. Narayanaswamy Srinivasan and Shashi Bhushan Pandit. The three-dimensional structure and subcellular ...

  20. Texture and anisotropy in ferroelectric lead metaniobate

    Science.gov (United States)

    Iverson, Benjamin John

    Ferroelectric lead metaniobate, PbNb2O6, is a piezoelectric ceramic typically used because of its elevated Curie temperature and anisotropic properties. However, the piezoelectric constant, d33, is relatively low in randomly oriented ceramics when compared to other ferroelectrics. Crystallographic texturing is often employed to increase the piezoelectric constant because the spontaneous polarization axes of grains are better aligned. In this research, crystallographic textures induced through tape casting are distinguished from textures induced through electrical poling. Texture is described using multiple quantitative approaches utilizing X-ray and neutron time-of-flight diffraction. Tape casting lead metaniobate with an inclusion of acicular template particles induces an orthotropic texture distribution. Templated grain growth from seed particles oriented during casting results in anisotropic grain structures. The degree of preferred orientation is directly linked to the shear behavior of the tape cast slurry. Increases in template concentration, slurry viscosity, and casting velocity lead to larger textures by inducing more particle orientation in the tape casting plane. The maximum 010 texture distributions were two and a half multiples of a random distribution. Ferroelectric texture was induced by electrical poling. Electric poling increases the volume of material oriented with the spontaneous polarization direction in the material. Samples with an initial paraelectric texture exhibit a greater change in the domain volume fraction during electrical poling than randomly oriented ceramics. In tape cast samples, the resulting piezoelectric response is proportional to the 010 texture present prior to poling. This results in property anisotropy dependent on initial texture. Piezoelectric properties measured on the most textured ceramics were similar to those obtained with a commercial standard.

  1. Perovskite oxides for visible-light-absorbing ferroelectric and photovoltaic materials.

    Science.gov (United States)

    Grinberg, Ilya; West, D Vincent; Torres, Maria; Gou, Gaoyang; Stein, David M; Wu, Liyan; Chen, Guannan; Gallo, Eric M; Akbashev, Andrew R; Davies, Peter K; Spanier, Jonathan E; Rappe, Andrew M

    2013-11-28

    Ferroelectrics have recently attracted attention as a candidate class of materials for use in photovoltaic devices, and for the coupling of light absorption with other functional properties. In these materials, the strong inversion symmetry breaking that is due to spontaneous electric polarization promotes the desirable separation of photo-excited carriers and allows voltages higher than the bandgap, which may enable efficiencies beyond the maximum possible in a conventional p-n junction solar cell. Ferroelectric oxides are also stable in a wide range of mechanical, chemical and thermal conditions and can be fabricated using low-cost methods such as sol-gel thin-film deposition and sputtering. Recent work has shown how a decrease in ferroelectric layer thickness and judicious engineering of domain structures and ferroelectric-electrode interfaces can greatly increase the current harvested from ferroelectric absorber materials, increasing the power conversion efficiency from about 10(-4) to about 0.5 per cent. Further improvements in photovoltaic efficiency have been inhibited by the wide bandgaps (2.7-4 electronvolts) of ferroelectric oxides, which allow the use of only 8-20 per cent of the solar spectrum. Here we describe a family of single-phase solid oxide solutions made from low-cost and non-toxic elements using conventional solid-state methods: [KNbO3]1 - x[BaNi1/2Nb1/2O3 - δ]x (KBNNO). These oxides exhibit both ferroelectricity and a wide variation of direct bandgaps in the range 1.1-3.8 electronvolts. In particular, the x = 0.1 composition is polar at room temperature, has a direct bandgap of 1.39 electronvolts and has a photocurrent density approximately 50 times larger than that of the classic ferroelectric (Pb,La)(Zr,Ti)O3 material. The ability of KBNNO to absorb three to six times more solar energy than the current ferroelectric materials suggests a route to viable ferroelectric semiconductor-based cells for solar energy conversion and

  2. Graded ferroelectrics, transpacitors and transponents

    CERN Document Server

    Mantese, Joseph V

    2005-01-01

    The text details the experimental and theoretical aspects of newly emerging ferroelectric devices, and their extensions to other ferroic systems such as: ferromagnetics, ferroelastics, piezoelectrics, etc. The theory and experimental results pertaining to non-homogeneous active ferroic devices and structures are presented.

  3. Structure of the first PDZ domain of human PSD-93

    DEFF Research Database (Denmark)

    Fiorentini, Monica; Nielsen, Ann Kallehauge; Kristensen, Ole

    2009-01-01

    The crystal structure of the PDZ1 domain of human PSD-93 has been determined to 2.0 A resolution. The PDZ1 domain forms a crystallographic trimer that is also predicted to be stable in solution. The main contributions to the stabilization of the trimer seem to arise from interactions involving...... the PDZ1-PDZ2 linker region at the extreme C-terminus of PDZ1, implying that the oligomerization that is observed is not of biological significance in full-length PSD-93. Comparison of the structures of the binding cleft of PSD-93 PDZ1 with the previously reported structures of PSD-93 PDZ2 and PDZ3...

  4. Domain Structures in Nematic Liquid Crystals on a Polycarbonate Surface

    Directory of Open Access Journals (Sweden)

    Vasily F. Shabanov

    2013-08-01

    Full Text Available Alignment of nematic liquid crystals on polycarbonate films obtained with the use of solvents with different solvations is studied. Domain structures occurring during the growth on the polymer surface against the background of the initial thread-like or schlieren texture are demonstrated. It is established by optical methods that the domains are stable formations visualizing the polymer surface structures. In nematic droplets, the temperature-induced transition from the domain structure with two extinction bands to the structure with four bands is observed. This transition is shown to be caused by reorientation of the nematic director in the liquid crystal volume from the planar alignment to the homeotropic state with the pronounced radial configuration of nematic molecules on the surface. The observed textures are compared with different combinations of the volume LC orientations and the radial distribution of the director field and the disclination lines at the polycarbonate surface.

  5. Rewritable ferroelectric vortex pairs in BiFeO3

    Science.gov (United States)

    Li, Yang; Jin, Yaming; Lu, Xiaomei; Yang, Jan-Chi; Chu, Ying-Hao; Huang, Fengzhen; Zhu, Jinsong; Cheong, Sang-Wook

    2017-08-01

    Ferroelectric vortex in multiferroic materials has been considered as a promising alternative to current memory cells for the merit of high storage density. However, the formation of regular natural ferroelectric vortex is difficult, restricting the achievement of vortex memory device. Here, we demonstrated the creation of ferroelectric vortex-antivortex pairs in BiFeO3 thin films by using local electric field. The evolution of the polar vortex structure is studied by piezoresponse force microscopy at nanoscale. The results reveal that the patterns and stability of vortex structures are sensitive to the poling position. Consecutive writing and erasing processes cause no influence on the original domain configuration. The Z4 proper coloring vortex-antivortex network is then analyzed by graph theory, which verifies the rationality of artificial vortex-antivortex pairs. This study paves a foundation for artificial regulation of vortex, which provides a possible pathway for the design and realization of non-volatile vortex memory devices and logical devices.

  6. Magnetic enhancement of ferroelectric polarization in a self-grown ferroelectric-ferromagnetic composite

    Science.gov (United States)

    Kumar, Amit; Narayan, Bastola; Pachat, Rohit; Ranjan, Rajeev

    2018-02-01

    Ferroelectric-ferromagnetic multiferroic composites are of great interest both from the scientific and technological standpoints. The extent of coupling between polarization and magnetization in such two-phase systems depends on how efficiently the magnetostrictive and electrostrictive/piezoelectric strain gets transferred from one phase to the other. This challenge is most profound in the easy to make 0-3 ferroelectric-ferromagnetic particulate composites. Here we report a self-grown ferroelectric-ferromagnetic 0-3 particulate composite through controlled spontaneous precipitation of ferrimagnetic barium hexaferrite phase (BaF e12O19 ) amid ferroelectric grains in the multiferroic alloy system BiFe O3-BaTi O3 . We demonstrate that a composite specimen exhibiting merely ˜1% hexaferrite phase exhibits ˜34% increase in saturation polarization in a dc magnetic field of ˜10 kOe. Using modified Rayleigh analysis of the polarization field loop in the subcoercive field region we argue that the substantial enhancement in the ferroelectric switching is associated with the reduction in the barrier heights of the pinning centers of the ferroelectric-ferroelastic domain walls in the stress field generated by magnetostriction in the hexaferrite grains when the magnetic field is turned on. Our study proves that controlled precipitation of the magnetic phase is a good strategy for synthesis of 0-3 ferroelectric-ferromagnetic particulate multiferroic composite as it not only helps in ensuring a good electrical insulating character of the composite, enabling it to sustain high enough electric field for ferroelectric switching, but also the factors associated with the spontaneity of the precipitation process ensure efficient transfer of the magnetostrictive strain/stress to the surrounding ferroelectric matrix making domain wall motion easy.

  7. Ultrafast Photovoltaic Response in Ferroelectric Nanolayers

    Energy Technology Data Exchange (ETDEWEB)

    Daranciang, Dan

    2012-02-15

    We show that light drives large-amplitude structural changes in thin films of the prototypical ferroelectric PbTiO3 via direct coupling to its intrinsic photovoltaic response. Using time-resolved x-ray scattering to visualize atomic displacements on femtosecond timescales, photoinduced changes in the unit-cell tetragonality are observed. These are driven by the motion of photogenerated free charges within the ferroelectric and can be simply explained by a model including both shift and screening currents, associated with the displacement of electrons first antiparallel to and then parallel to the ferroelectric polarization direction.

  8. Ultrafast Photovoltaic Response in Ferroelectric Nanolayers

    International Nuclear Information System (INIS)

    Daranciang, Dan

    2012-01-01

    We show that light drives large-amplitude structural changes in thin films of the prototypical ferroelectric PbTiO3 via direct coupling to its intrinsic photovoltaic response. Using time-resolved x-ray scattering to visualize atomic displacements on femtosecond timescales, photoinduced changes in the unit-cell tetragonality are observed. These are driven by the motion of photogenerated free charges within the ferroelectric and can be simply explained by a model including both shift and screening currents, associated with the displacement of electrons first antiparallel to and then parallel to the ferroelectric polarization direction.

  9. Crystal structure and ferroelectric properties of Ca(Cu3−xMx)Ti4O12 (M = Fe and Ni) ceramics

    International Nuclear Information System (INIS)

    Moriyama, Tohru; Kan, Akinori; Ogawa, Hirotaka

    2013-01-01

    Highlights: ► M-substituted Ca(Cu 3−x M x )Ti 4 O 12 (CCMTO) ceramics, where M = Fe and Ni, were synthesized. ► The influence of M substitution for Cu on crystal structure and ferroelectric properties of CCMTO ceramics were investigated. ► Analysis of CCMTO ceramics revealed the single phase of CCMTO ceramics belongs to I23 non-centrosymmetric space group of I23. ► As a result, the P r and E c values of CCFTO ceramics at x = 0.05 were 1.8 μC/cm 2 and 40 kV/cm, respectively. -- Abstract: M-substituted Ca(Cu 3−x M x )Ti 4 O 12 (CCMTO) ceramics, where M = Fe and Ni, were synthesized and the influence of M substitutions for Cu on the crystal structure and ferroelectric properties of CCMTO ceramics were investigated in this study. From the variations in the lattice parameters of CCMTO ceramics, the solubility limit of Ni substitution for Cu in CaCu 3−x Ni x Ti 4 O 12 (CCNTO) ceramics was x = 0.2, whereas that of CaCu 3−x Fe x Ti 4 O 12 (CCFTO) ceramics was x = 0.05. The crystal structural analysis of CCMTO ceramics revealed that the single phase of CCMTO ceramics belongs to the I23 non-centrosymmetric space group of I23; as a result, the P r and E c values of CCFTO ceramics at x = 0.05 were 1.8 μC/cm 2 and 40 kV/cm, respectively. The ferroelectric behavior of CCMTO ceramics by the M substitutions for Cu may be related to the displacement of a Ti 4+ cation in the TiO 6 octahedra and tilting of the Ti–O–Ti angle because of the non-centrosymmetric space group

  10. Crystal structure of ferroelectric Bi{sub 2}VO{sub 5.5}

    Energy Technology Data Exchange (ETDEWEB)

    Sooryanarayana, K.; Guru Row, T.N.; Varma, K.B.R. [Indian Inst. of Science, Bangalore (India)

    1997-12-01

    The structure of the {alpha}-phase of bismuth vanadate Bi{sub 2}VO{sub 5.5} has been determined using single crystal X-ray diffraction data in the space group Aba2. The refinement involves a well defined disorder at the vanadium site, which incorporates the features of the superlattice structure with vanadium tetrahedra and oxygen-deficient octahedra that is displaced about the twofold axis.

  11. Solution structure of the isolated Pelle death domain.

    Science.gov (United States)

    Moncrieffe, Martin C; Stott, Katherine M; Gay, Nicholas J

    2005-07-18

    The interaction between the death domains (DDs) of Tube and the protein kinase Pelle is an important component of the Toll pathway. Published crystallographic data suggests that the Pelle-Tube DD interface is plastic and implies that in addition to the two predominant Pelle-Tube interfaces, a third interaction is possible. We present the NMR solution structure of the isolated death domain of Pelle and a study of the interaction between the DDs of Pelle and Tube. Our data suggests the solution structure of the isolated Pelle DD is similar to that of Pelle DD in complex with Tube. Additionally, they suggest that the plasticity observed in the crystal structure may not be relevant in the functioning death domain complex.

  12. Transcript structure and domain display: a customizable transcript visualization tool.

    Science.gov (United States)

    Watanabe, Kenneth A; Ma, Kaiwang; Homayouni, Arielle; Rushton, Paul J; Shen, Qingxi J

    2016-07-01

    Transcript Structure and Domain Display (TSDD) is a publicly available, web-based program that provides publication quality images of transcript structures and domains. TSDD is capable of producing transcript structures from GFF/GFF3 and BED files. Alternatively, the GFF files of several model organisms have been pre-loaded so that users only needs to enter the locus IDs of the transcripts to be displayed. Visualization of transcripts provides many benefits to researchers, ranging from evolutionary analysis of DNA-binding domains to predictive function modeling. TSDD is freely available for non-commercial users at http://shenlab.sols.unlv.edu/shenlab/software/TSD/transcript_display.html : jeffery.shen@unlv.nevada.edu. © The Author 2016. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

  13. Crystal structure of the Ig1 domain of the neural cell adhesion molecule NCAM2 displays domain swapping

    DEFF Research Database (Denmark)

    Rasmussen, Kim Krighaar; Kulahin, Nikolaj; Kristensen, Ole

    2008-01-01

    The crystal structure of the first immunoglobulin (Ig1) domain of neural cell adhesion molecule 2 (NCAM2/OCAM/RNCAM) is presented at a resolution of 2.7 A. NCAM2 is a member of the immunoglobulin superfamily of cell adhesion molecules (IgCAMs). In the structure, two Ig domains interact by domain...

  14. Electronic structure of layered ferroelectric high-k titanate La2Ti2O7

    DEFF Research Database (Denmark)

    Atuchin, V. V.; Gavrilova, T. A.; Grivel, Jean-Claude

    2009-01-01

    The electronic structure of binary titanate La2Ti2O7 has been studied by x-ray photoelectron spectroscopy. Spectral features of valence band and all constituent element core levels have been considered. The Auger parameters of titanium and oxygen in La2Ti2O7 are determined as alpha(Ti) = 872...

  15. Electronic structure of layered ferroelectric high-k titanate Pr2Ti2O7

    DEFF Research Database (Denmark)

    Atuchin, V.V.; Gavrilova, T.A.; Grivel, Jean-Claude

    2012-01-01

    The spectroscopic parameters and electronic structure of binary titanate Pr2Ti2O7 have been studied by IR-, Raman and X-ray photoelectron spectroscopy (XPS) for the powder sample prepared by solid state synthesis. The spectral features of valence band and all constituent element core levels have...

  16. Ferroelectric BaTiO3 thin films on Ti substrate fabricated using pulsed-laser deposition.

    Science.gov (United States)

    He, J; Jiang, J C; Liu, J; Collins, G; Chen, C L; Lin, B; Giurgiutiu, V; Guo, R Y; Bhalla, A; Meletis, E I

    2010-09-01

    We report on the fabrication of ferroelectric BaTiO3 thin films on titanium substrates using pulsed laser deposition and their microstructures and properties. Electron microscopy studies reveal that BaTiO3 films are composed of crystalline assemblage of nanopillars with average cross sections from 100 nm to 200 nm. The BaTiO3 films have good interface structures and strong adhesion with respect to Ti substrates by forming a rutile TiO2 intermediate layer with a gradient microstructure. The room temperature ferroelectric polarization measurements show that the as-deposited BTO films possess nearly the same spontaneous polarization as the bulk BTO ceramics indicating formation of ferroelectric domains in the films. Successful fabrication of such ferroelectric films on Ti has significant importance for the development of new applications such as structural health monitoring spanning from aerospace to civil infrastructure. The work can be extended to integrate other ferroelectric oxide films with various promising properties to monitor the structural health of materials.

  17. Structural Basis for Endosomal Targeting by the Bro1 Domain

    Science.gov (United States)

    Kim, Jaewon; Sitaraman, Sujatha; Hierro, Aitor; Beach, Bridgette M.; Odorizzi, Greg; Hurley, James H.

    2010-01-01

    Summary Proteins delivered to the lysosome or the yeast vacuole via late endosomes are sorted by the ESCRT complexes and by associated proteins, including Alix and its yeast homolog Bro1. Alix, Bro1, and several other late endosomal proteins share a conserved 160 residue Bro1 domain whose boundaries, structure, and function have not been characterized. The crystal structure of the Bro1 domain of Bro1 reveals a folded core of 367 residues. The extended Bro1 domain is necessary and sufficient for binding to the ESCRT-III subunit Snf7 and for the recruitment of Bro1 to late endosomes. The structure resembles a boomerang with its concave face filled in and contains a triple tetratricopeptide repeat domain as a substructure. Snf7 binds to a conserved hydrophobic patch on Bro1 that is required for protein complex formation and for the protein-sorting function of Bro1. These results define a conserved mechanism whereby Bro1 domain-containing proteins are targeted to endosomes by Snf7 and its orthologs. PMID:15935782

  18. Giant electrocaloric effect in a cracked ferroelectrics

    Science.gov (United States)

    Huang, Cheng; Yang, Hai-Bing; Gao, Cun-Fa

    2018-04-01

    The electrocaloric effect (ECE) is the temperature change in a material induced by electrical field variation under adiabatic condition. Considering an external electric load applied on a cracked ferroelectric solid, a non-uniform electric field would be induced at the crack tip, and thus, incompatible strain field and local stress concentration would be generated around it. Furthermore, the enormous strain energy and the electrostatic energy would affect the polarization switching of the ferroelectric solid, important for the electrocaloric response. In this paper, the large negative and positive ECEs in a ferroelectric sheet with a conducting crack are investigated by the phase field method with the consideration of time-dependent Ginzburg-Landau equation. The numerical calculations indicated that the polarization field generates a sharp rise during the domain transition from polydomain to monodomain under a certain electric load. Large negative ECEs, about -10.21 K and -7.55 K, are obtained at 135 °C and 85 °C, respectively. The domain transition temperature is much lower than the Curie temperature, which enlarges the existence scope of the large ECE in ferroelectrics. The results also imply that the domain transition from a multi-domain state to a single domain takes place with the minimization of total free energy, which involves the courses of the electric field, stress field, temperature, and polarization interaction. Therefore, the non-uniform distributions of the stress-electric fields induced by the crack play an important role in ECE.

  19. Electronic structure of layered ferroelectric high-k titanate Pr2Ti2O7

    International Nuclear Information System (INIS)

    Atuchin, V.V.; Gavrilova, T.A.; Grivel, J.-C.; Kesler, V.G.; Troitskaia, I.B.

    2012-01-01

    The spectroscopic parameters and electronic structure of binary titanate Pr 2 Ti 2 O 7 have been studied by IR-, Raman and X-ray photoelectron spectroscopy (XPS) for the powder sample prepared by solid state synthesis. The spectral features of valence band and all constituent element core levels have been considered. The Auger parameters of titanium and oxygen in Pr 2 Ti 2 O 7 have been determined as α Ti =872.8 and α O =1042.3 eV. Variations of cation–anion bond ionicity have been discussed using binding energy differences Δ Ti =(BE O 1s–BE Ti 2p 3/2 )=71.6 eV and Δ Pr =BE(Pr 3d 5/2 )−BE(O 1s)=403.8 eV as key parameters in comparison with those of other titanium- and praseodymium-bearing oxides. Highlights: ► Solid state synthesis of polar titanate Pr 2 Ti 2 O 7 . ► Structural and spectroscopic properties and electronic structure determination. ► Ti–O and Pr–O bonding analysis using Ti 2p 3/2 , Pr 3d 5/2 and O 1s core levels.

  20. Above-room-temperature ferroelectricity and antiferroelectricity in benzimidazoles

    Science.gov (United States)

    Horiuchi, Sachio; Kagawa, Fumitaka; Hatahara, Kensuke; Kobayashi, Kensuke; Kumai, Reiji; Murakami, Youichi; Tokura, Yoshinori

    2012-12-01

    The imidazole unit is chemically stable and ubiquitous in biological systems; its proton donor and acceptor moieties easily bind molecules into a dipolar chain. Here we demonstrate that chains of these amphoteric molecules can often be bistable in electric polarity and electrically switchable, even in the crystalline state, through proton tautomerization. Polarization-electric field (P-E) hysteresis experiments reveal a high electric polarization ranging from 5 to 10 μC cm-2 at room temperature. Of these molecules, 2-methylbenzimidazole allows ferroelectric switching in two dimensions due to its pseudo-tetragonal crystal symmetry. The ferroelectricity is also thermally robust up to 400 K, as is that of 5,6-dichloro-2-methylbenzimidazole (up to ~373 K). In contrast, three other benzimidazoles exhibit double P-E hysteresis curves characteristic of antiferroelectricity. The diversity of imidazole substituents is likely to stimulate a systematic exploration of various structure-property relationships and domain engineering in the quest for lead- and rare-metal-free ferroelectric devices.

  1. Crystal Structure of the FERM Domain of Focal Adhesion Kinase

    International Nuclear Information System (INIS)

    Ceccarelli, D.; Song, H.; Poy, F.; Schaller, M.; Eck, M.

    2006-01-01

    Focal adhesion kinase (FAK) is a non-receptor tyrosine kinase that localizes to focal adhesions in adherent cells. Through phosphorylation of proteins assembled at the cytoplasmic tails of integrins, FAK promotes signaling events that modulate cellular growth, survival, and migration. The amino-terminal region of FAK contains a region of sequence homology with band 4.1 and ezrin/radixin/moesin (ERM) proteins termed a FERM domain. FERM domains are found in a variety of signaling and cytoskeletal proteins and are thought to mediate intermolecular interactions with partner proteins and phospholipids at the plasma membrane and intramolecular regulatory interactions. Here we report two crystal structures of an NH2-terminal fragment of avian FAK containing the FERM domain and a portion of the regulatory linker that connects the FERM and kinase domains. The tertiary folds of the three subdomains (F1, F2, and F3) are similar to those of known FERM structures despite low sequence conservation. Differences in the sequence and relative orientation of the F3 subdomain alters the nature of the interdomain interface, and the phosphoinositide binding site found in ERM family FERM domains is not present in FAK. A putative protein interaction site on the F3 lobe is masked by the proximal region of the linker. Additionally, in one structure the adjacent Src SH3 and SH2 binding sites in the linker associate with the surfaces of the F3 and F1 lobes, respectively. These structural features suggest the possibility that protein interactions of the FAK FERM domain can be regulated by binding of Src kinases to the linker segment

  2. Parental Provision of Structure: Implementation and Correlates in Three Domains

    Science.gov (United States)

    Grolnick, Wendy S.; Raftery-Helmer, Jacquelyn N.; Marbell, Kristine N; Flamm, Elizabeth S.; Cardemil, Esteban V.

    2014-01-01

    This study examined parents' provision of "structure," defined as the organization of the environment to facilitate competence, and the degree to which it supports versus controls children's autonomy, in the domains of homework and studying, unsupervised time, and responsibilities in a diverse sample of sixth-grade children and their…

  3. Structural Time Domain Identification (STDI) Toolbox for Use with MATLAB

    DEFF Research Database (Denmark)

    Kirkegaard, Poul Henning; Andersen, P.; Brincker, Rune

    1997-01-01

    The Structural Time Domain Identification (STDI) toolbox for use with MATLABTM is developed at Aalborg University, Denmark, based on the system identification research performed during recent years. By now, a reliable set of functions offers a wide spectrum of services for all the important steps...

  4. Structural Time Domain Identification (STDI) Toolbox for Use with MATLAB

    DEFF Research Database (Denmark)

    Kirkegaard, Poul Henning; Andersen, P.; Brincker, Rune

    The Structural Time Domain Identification (STDI) toolbox for use with MATLABTM is developed at Aalborg University, Denmark, based on the system identification research performed during recent years. By now, a reliable set of functions offers a wide spectrum of services for all the important steps...

  5. Electronic structure of layered ferroelectric high-k titanate La2Ti2O7

    Science.gov (United States)

    Atuchin, V. V.; Gavrilova, T. A.; Grivel, J.-C.; Kesler, V. G.

    2009-02-01

    The electronic structure of binary titanate La2Ti2O7 has been studied by x-ray photoelectron spectroscopy. Spectral features of valence band and all constituent element core levels have been considered. The Auger parameters of titanium and oxygen in La2Ti2O7 are determined as αTi = 872.4 and αO = 1042.3 eV. Chemical bonding effects have been discussed with binding energy (BE) differences ΔTi = (BE O 1s - BE Ti 2p3/2) = 71.6 eV and ΔLa = (BE La 3d5/2 - BE O 1s) = 304.7 eV as key parameters in comparison with those in several titanium- and lanthanum-bearing oxides.

  6. Electronic structure of layered ferroelectric high-k titanate La2Ti2O7

    International Nuclear Information System (INIS)

    Atuchin, V V; Gavrilova, T A; Grivel, J-C; Kesler, V G

    2009-01-01

    The electronic structure of binary titanate La 2 Ti 2 O 7 has been studied by x-ray photoelectron spectroscopy. Spectral features of valence band and all constituent element core levels have been considered. The Auger parameters of titanium and oxygen in La 2 Ti 2 O 7 are determined as α Ti = 872.4 and α O = 1042.3 eV. Chemical bonding effects have been discussed with binding energy (BE) differences Δ Ti = (BE O 1s - BE Ti 2p 3/2 ) = 71.6 eV and Δ La = (BE La 3d 5/2 - BE O 1s) = 304.7 eV as key parameters in comparison with those in several titanium- and lanthanum-bearing oxides.

  7. Electronic structure of layered ferroelectric high-k titanate Pr2Ti2O7

    Science.gov (United States)

    Atuchin, V. V.; Gavrilova, T. A.; Grivel, J.-C.; Kesler, V. G.; Troitskaia, I. B.

    2012-11-01

    The spectroscopic parameters and electronic structure of binary titanate Pr2Ti2O7 have been studied by IR-, Raman and X-ray photoelectron spectroscopy (XPS) for the powder sample prepared by solid state synthesis. The spectral features of valence band and all constituent element core levels have been considered. The Auger parameters of titanium and oxygen in Pr2Ti2O7 have been determined as αTi=872.8 and αO=1042.3 eV. Variations of cation-anion bond ionicity have been discussed using binding energy differences ΔTi=(BE O 1s-BE Ti 2p3/2)=71.6 eV and ΔPr=BE(Pr 3d5/2)-BE(O 1s)=403.8 eV as key parameters in comparison with those of other titanium- and praseodymium-bearing oxides.

  8. ASH structure alignment package: Sensitivity and selectivity in domain classification

    Directory of Open Access Journals (Sweden)

    Toh Hiroyuki

    2007-04-01

    Full Text Available Abstract Background Structure alignment methods offer the possibility of measuring distant evolutionary relationships between proteins that are not visible by sequence-based analysis. However, the question of how structural differences and similarities ought to be quantified in this regard remains open. In this study we construct a training set of sequence-unique CATH and SCOP domains, from which we develop a scoring function that can reliably identify domains with the same CATH topology and SCOP fold classification. The score is implemented in the ASH structure alignment package, for which the source code and a web service are freely available from the PDBj website http://www.pdbj.org/ASH/. Results The new ASH score shows increased selectivity and sensitivity compared with values reported for several popular programs using the same test set of 4,298,905 structure pairs, yielding an area of .96 under the receiver operating characteristic (ROC curve. In addition, weak sequence homologies between similar domains are revealed that could not be detected by BLAST sequence alignment. Also, a subset of domain pairs is identified that exhibit high similarity, even though their CATH and SCOP classification differs. Finally, we show that the ranking of alignment programs based solely on geometric measures depends on the choice of the quality measure. Conclusion ASH shows high selectivity and sensitivity with regard to domain classification, an important step in defining distantly related protein sequence families. Moreover, the CPU cost per alignment is competitive with the fastest programs, making ASH a practical option for large-scale structure classification studies.

  9. Mapping small molecule binding data to structural domains.

    Science.gov (United States)

    Kruger, Felix A; Rostom, Raghd; Overington, John P

    2012-01-01

    Large-scale bioactivity/SAR Open Data has recently become available, and this has allowed new analyses and approaches to be developed to help address the productivity and translational gaps of current drug discovery. One of the current limitations of these data is the relative sparsity of reported interactions per protein target, and complexities in establishing clear relationships between bioactivity and targets using bioinformatics tools. We detail in this paper the indexing of targets by the structural domains that bind (or are likely to bind) the ligand within a full-length protein. Specifically, we present a simple heuristic to map small molecule binding to Pfam domains. This profiling can be applied to all proteins within a genome to give some indications of the potential pharmacological modulation and regulation of all proteins. In this implementation of our heuristic, ligand binding to protein targets from the ChEMBL database was mapped to structural domains as defined by profiles contained within the Pfam-A database. Our mapping suggests that the majority of assay targets within the current version of the ChEMBL database bind ligands through a small number of highly prevalent domains, and conversely the majority of Pfam domains sampled by our data play no currently established role in ligand binding. Validation studies, carried out firstly against Uniprot entries with expert binding-site annotation and secondly against entries in the wwPDB repository of crystallographic protein structures, demonstrate that our simple heuristic maps ligand binding to the correct domain in about 90 percent of all assessed cases. Using the mappings obtained with our heuristic, we have assembled ligand sets associated with each Pfam domain. Small molecule binding has been mapped to Pfam-A domains of protein targets in the ChEMBL bioactivity database. The result of this mapping is an enriched annotation of small molecule bioactivity data and a grouping of activity classes

  10. Review of crystal and domain structures in the PbZrxTi1-xO3 solid solution

    DEFF Research Database (Denmark)

    Woodward, D.I.; Knudsen, J.; Reaney, I.M.

    2005-01-01

    Several intermediate phases have recently been identified in the PbZrxTi1-xO3 (PZT) phase diagram, located close to the antiferroelectric-ferroelectric and morphotropic phase boundaries. Superlattice reflections from some of these phases are clearly visible in the appropriate electron diffraction...... patterns and have therefore been used to provide further information concerning their symmetry. Here, the structural distortions giving rise to the new phases are discussed and their domain structures compared with those of tetragonal and rhombohedral PZT. Coherent structural arguments are presented...

  11. Polar and chemical domain structures of lead scandium tantalate (PST)

    International Nuclear Information System (INIS)

    Peng, J.L.; Bursill, L.A.

    1993-01-01

    The local structure of chemical and polar domains and domain walls is determined directly by atomic resolution high-resolution electron microscopy. Thus the Pb, Ta and Sc atomic positions may be located in the images of very thin crystals. Furthermore the Pb cation displacements away from the ideal perovskite A-site have been measured directly for the first time. Local variations in polarization direction may be mapped directly off the images, provided certain electron optical conditions are met. The results are relevant to recent theories of polar-glass behaviour in relaxor-type complex oxide functional ceramics. 17 refs., 9 figs

  12. Configuration and local elastic interaction of ferroelectric domains and misfit dislocation in PbTiO3/SrTiO3 epitaxial thin films

    Directory of Open Access Journals (Sweden)

    Takanori Kiguchi, Kenta Aoyagi, Yoshitaka Ehara, Hiroshi Funakubo, Tomoaki Yamada, Noritaka Usami and Toyohiko J Konno

    2011-01-01

    Full Text Available We have studied the strain field around the 90° domains and misfit dislocations in PbTiO3/SrTiO3 (001 epitaxial thin films, at the nanoscale, using the geometric phase analysis (GPA combined with high-resolution transmission electron microscopy (HRTEM and high-angle annular dark field––scanning transmission electron microscopy (HAADF-STEM. The films typically contain a combination of a/c-mixed domains and misfit dislocations. The PbTiO3 layer was composed from the two types of the a-domain (90° domain: a typical a/c-mixed domain configuration where a-domains are 20–30 nm wide and nano sized domains with a width of about 3 nm. In the latter case, the nano sized a-domain does not contact the film/substrate interface; it remains far from the interface and stems from the misfit dislocation. Strain maps obtained from the GPA of HRTEM images show the elastic interaction between the a-domain and the dislocations. The normal strain field and lattice rotation match each other between them. Strain maps reveal that the a-domain nucleation takes place at the misfit dislocation. The lattice rotation around the misfit dislocation triggers the nucleation of the a-domain; the normal strains around the misfit dislocation relax the residual strain in a-domain; then, the a-domain growth takes place, accompanying the introduction of the additional dislocation perpendicular to the misfit dislocation and the dissociation of the dislocations into two pairs of partial dislocations with an APB, which is the bottom boundary of the a-domain. The novel mechanism of the nucleation and growth of 90° domain in PbTiO3/SrTiO3 epitaxial system has been proposed based on above the results.

  13. Structural and magnetic domains characterization of magnetite nanoparticles

    International Nuclear Information System (INIS)

    Santoyo-Salazar, J.; Castellanos-Roman, M.A.; Beatriz Gomez, L.

    2007-01-01

    Recently, important advances have been achieved in application, reproducibility and response ability of magnetic materials due to the relationships among processing, structure and nanometric size particle. Features like homogeneity of compounds and nanoparticle-sizing have improved some magnetic properties of materials and their field application. Of particular interest is the study of magnetic materials at the atomic and microstuctural level because the orientation and magnetic domains (large numbers of atoms moments coupled together in a preferential direction) can be observed. In this work, magnetite (Fe 3 O 4 ) powders which were obtained by precipitation route in alkaline medium are analyzed to identify the structure and mechanism formation of domains over the core and border of nanoparticles. Results obtained by XRD, atomic force microscopy (AFM) and magnetic force microscopy (MFM) showed a structural phase corresponding to Fe 3 O 4 and nanoparticles in a range of 20-40 nm. Samples scanned by MFM in nanometric resolution and profile images showed orientation of magnetic domains in the border and cores of the material. Finally, an analysis of repulsion and attraction in magnetic field and direction changes of domains formed by magnetite (Fe 3 O 4 ) powders were done

  14. Structure of the Nucleoprotein Binding Domain of Mokola Virus Phosphoprotein▿

    Science.gov (United States)

    Assenberg, René; Delmas, Olivier; Ren, Jingshan; Vidalain, Pierre-Olivier; Verma, Anil; Larrous, Florence; Graham, Stephen C.; Tangy, Frédéric; Grimes, Jonathan M.; Bourhy, Hervé

    2010-01-01

    Mokola virus (MOKV) is a nonsegmented, negative-sense RNA virus that belongs to the Lyssavirus genus and Rhabdoviridae family. MOKV phosphoprotein P is an essential component of the replication and transcription complex and acts as a cofactor for the viral RNA-dependent RNA polymerase. P recruits the viral polymerase to the nucleoprotein-bound viral RNA (N-RNA) via an interaction between its C-terminal domain and the N-RNA complex. Here we present a structure for this domain of MOKV P, obtained by expression of full-length P in Escherichia coli, which was subsequently truncated during crystallization. The structure has a high degree of homology with P of rabies virus, another member of Lyssavirus genus, and to a lesser degree with P of vesicular stomatitis virus (VSV), a member of the related Vesiculovirus genus. In addition, analysis of the crystal packing of this domain reveals a potential binding site for the nucleoprotein N. Using both site-directed mutagenesis and yeast two-hybrid experiments to measure P-N interaction, we have determined the relative roles of key amino acids involved in this interaction to map the region of P that binds N. This analysis also reveals a structural relationship between the N-RNA binding domain of the P proteins of the Rhabdoviridae and the Paramyxoviridae. PMID:19906936

  15. Two-dimensional ferroelectrics

    Energy Technology Data Exchange (ETDEWEB)

    Blinov, L M; Fridkin, Vladimir M; Palto, Sergei P [A.V. Shubnikov Institute of Crystallography, Russian Academy of Sciences, Moscow, Russian Federaion (Russian Federation); Bune, A V; Dowben, P A; Ducharme, Stephen [Department of Physics and Astronomy, Behlen Laboratory of Physics, Center for Materials Research and Analysis, University of Nebraska-Linkoln, Linkoln, NE (United States)

    2000-03-31

    The investigation of the finite-size effect in ferroelectric crystals and films has been limited by the experimental conditions. The smallest demonstrated ferroelectric crystals had a diameter of {approx}200 A and the thinnest ferroelectric films were {approx}200 A thick, macroscopic sizes on an atomic scale. Langmuir-Blodgett deposition of films one monolayer at a time has produced high quality ferroelectric films as thin as 10 A, made from polyvinylidene fluoride and its copolymers. These ultrathin films permitted the ultimate investigation of finite-size effects on the atomic thickness scale. Langmuir-Blodgett films also revealed the fundamental two-dimensional character of ferroelectricity in these materials by demonstrating that there is no so-called critical thickness; films as thin as two monolayers (1 nm) are ferroelectric, with a transition temperature near that of the bulk material. The films exhibit all the main properties of ferroelectricity with a first-order ferroelectric-paraelectric phase transition: polarization hysteresis (switching); the jump in spontaneous polarization at the phase transition temperature; thermal hysteresis in the polarization; the increase in the transition temperature with applied field; double hysteresis above the phase transition temperature; and the existence of the ferroelectric critical point. The films also exhibit a new phase transition associated with the two-dimensional layers. (reviews of topical problems)

  16. Effect of amino acid doping on the growth and ferroelectric properties of triglycine sulphate single crystals

    International Nuclear Information System (INIS)

    Raghavan, C.M.; Sankar, R.; Mohan Kumar, R.; Jayavel, R.

    2008-01-01

    Effect of amino acids (L-leucine and isoleucine) doping on the growth aspects and ferroelectric properties of triglycine sulphate crystals has been studied. Pure and doped crystals were grown from aqueous solution by low temperature solution growth technique. The cell parameter values were found to significantly vary for doped crystals. Fourier transform infrared analysis confirmed the presence of functional groups in the grown crystal. Morphology study reveals that amino acid doping induces faster growth rate along b-direction leading to a wide b-plane and hence suitable for pyroelectric detector applications. Ferroelectric domain structure has been studied by atomic force microscopy and hysteresis measurements reveal an increase of coercive field due to the formation of single domain pattern

  17. Restoration the domain structure from magnetic force microscopy image

    Science.gov (United States)

    Wu, Dongping; Lou, Yuanfu; Wei, Fulin; Wei, Dan

    2012-04-01

    This contribution gives an approximation method to calculate the stray field of the scanning plane from the magnetic force microscopy (MFM) force gradient image. Before calculation, a Butterworth low-pass filter has been used to remove a part of the noise of the image. The discrete Fourier transform (DFT) method has been used to calculate the magnetic potential of the film surface. It shows that the potential is not correct because the low-frequency noise has been enlarged. The approximation method gives a better result of the potential and proves that the MFM force gradient of the perpendicular component image also gives the perpendicular component of the stray field. Supposing that the distance between the tip and the sample is as small as near zero, the force gradient image also gives the magnetic charge distribution of the film surface. So if the orientation of the film from hysteresis loop is known, then the domain structure of the film can be determined. For perpendicular orientation, the absolution value of the perpendicular component of stray field gives the domain and domain wall position. For in-plane orientation, the absolution value of in-plane component of stray field gives the domain and domain wall position.

  18. Ferroelectric devices using lead zirconate titanate (PZT) nanoparticles.

    Science.gov (United States)

    Paik, Young Hun; Kojori, Hossein Shokri; Kim, Sung Jin

    2016-02-19

    We successfully demonstrate the synthesis of lead zirconate titanate nanoparticles (PZT NPs) and a ferroelectric device using the synthesized PZT NPs. The crystalline structure and the size of the nanocrystals are studied using x-ray diffraction and transmission electron microscopy, respectively. We observe PZT NPs and this result matches dynamic light scattering measurements. A solution-based low-temperature process is used to fabricate PZT NP-based devices on an indium tin oxide substrate. The fabricated ferroelectric devices are characterized using various optical and electrical measurements and we verify ferroelectric properties including ferroelectric hysteresis and the ferroelectric photovoltaic effect. Our approach enables low-temperature solution-based processes that could be used for various applications. To the best of our knowledge, this low-temperature solution processed ferroelectric device using PZT NPs is the first successful demonstration of its kind.

  19. Quantifying information transfer by protein domains: Analysis of the Fyn SH2 domain structure

    DEFF Research Database (Denmark)

    Lenaerts, Tom; Ferkinghoff-Borg, Jesper; Stricher, Francois

    2008-01-01

    instance of communication over a noisy channel. In particular, we analyze the conformational correlations between protein residues and apply the concept of mutual information to quantify information exchange. Mapping out changes of mutual information on the protein structure then allows visualizing how...... distal communication is achieved. We illustrate the approach by analyzing information transfer by the SH2 domain of Fyn tyrosine kinase, obtained from Monte Carlo dynamics simulations. Our analysis reveals that the Fyn SH2 domain forms a noisy communication channel that couples residues located......Background: Efficient communication between distant sites within a protein is essential for cooperative biological response. Although often associated with large allosteric movements, more subtle changes in protein dynamics can also induce long-range correlations. However, an appropriate formalism...

  20. Structure and dynamics of the human pleckstrin DEP domain: distinct molecular features of a novel DEP domain subfamily.

    Science.gov (United States)

    Civera, Concepcion; Simon, Bernd; Stier, Gunter; Sattler, Michael; Macias, Maria J

    2005-02-01

    Pleckstrin1 is a major substrate for protein kinase C in platelets and leukocytes, and comprises a central DEP (disheveled, Egl-10, pleckstrin) domain, which is flanked by two PH (pleckstrin homology) domains. DEP domains display a unique alpha/beta fold and have been implicated in membrane binding utilizing different mechanisms. Using multiple sequence alignments and phylogenetic tree reconstructions, we find that 6 subfamilies of the DEP domain exist, of which pleckstrin represents a novel and distinct subfamily. To clarify structural determinants of the DEP fold and to gain further insight into the role of the DEP domain, we determined the three-dimensional structure of the pleckstrin DEP domain using heteronuclear NMR spectroscopy. Pleckstrin DEP shares main structural features with the DEP domains of disheveled and Epac, which belong to different DEP subfamilies. However, the pleckstrin DEP fold is distinct from these structures and contains an additional, short helix alpha4 inserted in the beta4-beta5 loop that exhibits increased backbone mobility as judged by NMR relaxation measurements. Based on sequence conservation, the helix alpha4 may also be present in the DEP domains of regulator of G-protein signaling (RGS) proteins, which are members of the same DEP subfamily. In pleckstrin, the DEP domain is surrounded by two PH domains. Structural analysis and charge complementarity suggest that the DEP domain may interact with the N-terminal PH domain in pleckstrin. Phosphorylation of the PH-DEP linker, which is required for pleckstrin function, could regulate such an intramolecular interaction. This suggests a role of the pleckstrin DEP domain in intramolecular domain interactions, which is distinct from the functions of other DEP domain subfamilies found so far.

  1. Ferroelectric nanostructure having switchable multi-stable vortex states

    Science.gov (United States)

    Naumov, Ivan I [Fayetteville, AR; Bellaiche, Laurent M [Fayetteville, AR; Prosandeev, Sergey A [Fayetteville, AR; Ponomareva, Inna V [Fayetteville, AR; Kornev, Igor A [Fayetteville, AR

    2009-09-22

    A ferroelectric nanostructure formed as a low dimensional nano-scale ferroelectric material having at least one vortex ring of polarization generating an ordered toroid moment switchable between multi-stable states. A stress-free ferroelectric nanodot under open-circuit-like electrical boundary conditions maintains such a vortex structure for their local dipoles when subject to a transverse inhomogeneous static electric field controlling the direction of the macroscopic toroidal moment. Stress is also capable of controlling the vortex's chirality, because of the electromechanical coupling that exists in ferroelectric nanodots.

  2. Novel Photovoltaic Devices Using Ferroelectric Material and Colloidal Quantum Dots

    Science.gov (United States)

    Paik, Young Hun

    the two materials, this dissertation focused on material synthesis for low cost solution process for both materials, fabrication of various device structures and electrical/optical characterization to understand the underlying physics. We successfully demonstrated lead sulfide quantum dots (PbS QDs) and lead zirconate titanate nanoparticles (PZT NPs) in an aqueous solution and fabricated a photosensitive device. Solution based low-temperature process was used to fabricate a PbS QD and a PZT NP device. We exhibited a superior photoresponse and ferroelectric photovoltaic properties with the novel PZT NP device and studied the physics on domain wall effect and internal polarity effect. PZT NP was mainly investigated because PZT NP device is the first report as a photosensitive device with a successful property demonstration, as we know of. PZT's crystalline structure and the size of the nanocrystals were studied using X-ray diffraction and TEM (Transmission electron microscopy) respectively. We observed < 100 nm of PZT NPs and this result matched with DLS (dynamic light scattering) measurement. We fabricated ferroelectric devices using the PZT NPs for the various optical and electrical characterizations and verified ferroelectric properties including ferroelectric hysteresis loop. We also observed a typical ferroelectric photovoltaic effect from a PZT NP based device which was fabricated on an ITO substrate. We synthesized colloidal quantum dots (CQD) with the inexpensive soluble process. Fabricated PbS QD was used for the hybrid device with PZT thin films. J-V measured and the result shows superior open circuit voltage characteristics compared to conventional PbS QD PV devices, and resulting the improvement of the solar cell efficiency. This Ferroelectrics and Quantum Dots (FE-QDs) device also the first trial and the success as we know of.

  3. Suppression of slow capacitance relaxation phenomenon in Pt/Ba0.3Sr0.7TiO3/Pt thin film ferroelectric structures by annealing in oxygen atmosphere

    KAUST Repository

    Altynnikov, A. G.; Gagarin, A. G.; Gaidukov, M. M.; Tumarkin, A. V.; Petrov, P. K.; Alford, N.; Kozyrev, A. B.

    2014-01-01

    The impact of oxygen annealing on the switching time of ferroelectric thin film capacitor structures Pt/Ba0.3Sr0.7TiO3/Pt was investigated. The response of their capacitance on pulsed control voltages before and after annealing was experimentally

  4. Structural, microstructural, dielectric and ferroelectric properties of lead free Ba0.85Ca0.15Zr0.1Ti0.9O3 ceramic

    Science.gov (United States)

    Sharma, Sarita; Sharma, Hakikat; Negi, N. S.

    2018-05-01

    Lead free Ba0.85Ca0.15Zr0.1Ti0.9O3(BCTZ) ceramic has been synthesized by sol-gel method. Properties of material are studied at different sintering temperatures for 5 hours. Structural and microstructural properties are analyzed by using X-ray diffractrometer (XRD) and scanning electron microscopy (SEM) at annealing temperature of 850°C and 1050°C XRD pattern confirm the perovskite structure of the material without any unwanted phases crystalinity increased with increase of sintering temperature so as roughness and porosity is decreased as shown by SEM micrographs. There is large improvement in density with rise of sintering temperature which also leads to drastic change in ferroelectric and dielectric properties.

  5. Structure and evolution of N-domains in AAA metalloproteases.

    Science.gov (United States)

    Scharfenberg, Franka; Serek-Heuberger, Justyna; Coles, Murray; Hartmann, Marcus D; Habeck, Michael; Martin, Jörg; Lupas, Andrei N; Alva, Vikram

    2015-02-27

    Metalloproteases of the AAA (ATPases associated with various cellular activities) family play a crucial role in protein quality control within the cytoplasmic membrane of bacteria and the inner membrane of eukaryotic organelles. These membrane-anchored hexameric enzymes are composed of an N-terminal domain with one or two transmembrane helices, a central AAA ATPase module, and a C-terminal Zn(2+)-dependent protease. While the latter two domains have been well studied, so far, little is known about the N-terminal regions. Here, in an extensive bioinformatic and structural analysis, we identified three major, non-homologous groups of N-domains in AAA metalloproteases. By far, the largest one is the FtsH-like group of bacteria and eukaryotic organelles. The other two groups are specific to Yme1: one found in plants, fungi, and basal metazoans and the other one found exclusively in animals. Using NMR and crystallography, we determined the subunit structure and hexameric assembly of Escherichia coli FtsH-N, exhibiting an unusual α+β fold, and the conserved part of fungal Yme1-N from Saccharomyces cerevisiae, revealing a tetratricopeptide repeat fold. Our bioinformatic analysis showed that, uniquely among these proteins, the N-domain of Yme1 from the cnidarian Hydra vulgaris contains both the tetratricopeptide repeat region seen in basal metazoans and a region of homology to the N-domains of animals. Thus, it is a modern-day representative of an intermediate in the evolution of animal Yme1 from basal eukaryotic precursors. Copyright © 2015. Published by Elsevier Ltd.

  6. Quantum switching of polarization in mesoscopic ferroelectrics

    International Nuclear Information System (INIS)

    Sa de Melo, C.A.

    1996-01-01

    A single domain of a uniaxial ferroelectric grain may be thought of as a classical permanent memory. At the mesoscopic level this system may experience considerable quantum fluctuations due to tunneling between two possible memory states, thus destroying the classical permanent memory effect. To study these quantum effects the concrete example of a mesoscopic uniaxial ferroelectric grain is discussed, where the orientation of the electric polarization determines two possible memory states. The possibility of quantum switching of the polarization in mesoscopic uniaxial ferroelectric grains is thus proposed. To determine the degree of memory loss, the tunneling rate between the two polarization states is calculated at zero temperature both in the absence and in the presence of an external static electric field. In addition, a discussion of crossover temperature between thermally activated behavior and quantum tunneling behavior is presented. And finally, environmental effects (phonons, defects, and surfaces) are also considered. copyright 1996 The American Physical Society

  7. Tensile strain effect in ferroelectric perovskite oxide thin films on spinel magnesium aluminum oxide substrate

    Science.gov (United States)

    Zhou, Xiaolan

    Ferroelectrics are used in FeRAM (Ferroelectric random-access memory). Currently (Pb,Zr)TiO3 is the most common ferroelectric material. To get lead-free and high performance ferroelectric material, we investigated perovskite ferroelectric oxides (Ba,Sr)TiO3 and BiFeO3 films with strain. Compressive strain has been investigated intensively, but the effects of tensile strain on the perovskite films have yet to be explored. We have deposited (Ba,Sr)TiO3, BiFeO3 and related films by pulsed laser deposition (PLD) and analyzed the films by X-ray diffractometry (XRD), atomic force microscopy (AFM), etc. To obtain inherently fully strained films, the selection of the appropriate substrates is crucial. MgAl2O4 matches best with good quality and size, yet the spinel structure has an intrinsic incompatibility to that of perovskite. We introduced a rock-salt structure material (Ni 1-xAlxO1+delta) as a buffer layer to mediate the structural mismatch for (Ba,Sr)TiO3 films. With buffer layer Ni1-xAlxO1+delta, we show that the BST films have high quality crystallization and are coherently epitaxial. AFM images show that the films have smoother surfaces when including the buffer layer, indicating an inherent compatibility between BST-NAO and NAO-MAO. In-plane Ferroelectricity measurement shows double hysteresis loops, indicating an antiferroelectric-like behavior: pinned ferroelectric domains with antiparallel alignments of polarization. The Curie temperatures of the coherent fully strained BST films are also measured. It is higher than 900°C, at least 800°C higher than that of bulk. The improved Curie temperature makes the use of BST as FeRAM feasible. We found that the special behaviors of ferroelectricity including hysteresis loop and Curie temperature are due to inherent fully tensile strain. This might be a clue of physics inside ferroelectric stain engineering. An out-of-plane ferroelectricity measurement would provide a full whole story of the tensile strain. However, a

  8. X-ray investigation of lateral hetero-structures of inversion domains in LiNbO{sub 3}, KTiOPO{sub 4} and KTiOAsO{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Lyford, Thomas S. [Panalytical Research, The Sussex Innovation Centre, Falmer, Brighton, BN1 9SB (United Kingdom); Collins, Stephen P., E-mail: steve.collins@diamond.ac.uk [Diamond Light Source Ltd, Diamond House, Harwell Science and Innovation Campus, Didcot, Oxfordshire, OX11 0DE (United Kingdom); Fewster, Paul F. [Panalytical Research, The Sussex Innovation Centre, Falmer, Brighton, BN1 9SB (United Kingdom); Thomas, Pamela A. [Department of Physics, University of Warwick, CV4 7AL (United Kingdom); Panalytical Research, The Sussex Innovation Centre, Falmer, Brighton, BN1 9SB (United Kingdom)

    2015-05-01

    Periodically-poled ferroelectric crystals are studied by observing their superlattice (grating) diffraction profiles with high-resolution X-ray diffraction. In order to successfully model the data, the effects of strain, and sample and beam coherence, must be taken into account. In this paper periodically domain-inverted (PDI) ferroelectric crystals are studied using high-resolution X-ray diffraction. Rocking curves and reciprocal-space maps of the principal symmetric Bragg reflections in LiNbO{sub 3} (LN) (Λ = 5 µm), KTiOPO{sub 4} (KTP) (Λ = 9 µm) and KTiOAsO{sub 4} (KTA) (Λ = 39 µm) are presented. For all the samples strong satellite reflections were observed as a consequence of the PDI structure. Analysis of the satellites showed that they were caused by a combination of coherent and incoherent scattering between the adjacent domains. Whilst the satellites contained phase information regarding the structure of the domain wall, this information could not be rigorously extracted without a priori knowledge of the twinning mechanism. Analysis of the profiles reveals strain distributions of Δd/d = 1.6 × 10{sup −4} and 2.0 × 10{sup −4} perpendicular to domain walls in KTP and LN samples, respectively, and lateral correlation lengths of 63 µm (KTP), 194 µm (KTA) and 10 µm (LN). The decay of crystal truncation rods in LN and KTP was found to support the occurrence of surface corrugations.

  9. Effects of sub-domain structure on initial magnetization curve and domain size distribution of stacked media

    International Nuclear Information System (INIS)

    Sato, S.; Kumagai, S.; Sugita, R.

    2015-01-01

    In this paper, in order to confirm the sub-domain structure in stacked media demagnetized with in-plane field, initial magnetization curves and magnetic domain size distribution were investigated. Both experimental and simulation results showed that an initial magnetization curve for the medium demagnetized with in-plane field (MDI) initially rose faster than that for the medium demagnetized with perpendicular field (MDP). It is inferred that this is because the MDI has a larger number of domain walls than the MDP due to the existence of the sub-domains, resulting in an increase in the probability of domain wall motion. Dispersion of domain size for the MDI was larger than that for the MDP. This is because sub-domains are formed not only inside the domain but also at the domain boundary region, and they change the position of the domain boundary to affect the domain size. - Highlights: • An initial magnetization curve for MDI initially rose faster than that for MDP. • Dispersion of domain size for the MDI was larger than that for the MDP. • Experimental and simulation results can be explained by existence of sub-domains

  10. Transparent Ferroelectric Capacitors on Glass

    Directory of Open Access Journals (Sweden)

    Daniele Sette

    2017-10-01

    Full Text Available We deposited transparent ferroelectric lead zirconate titanate thin films on fused silica and contacted them via Al-doped zinc oxide (AZO transparent electrodes with an interdigitated electrode (IDE design. These layers, together with a TiO2 buffer layer on the fused silica substrate, are highly transparent (>60% in the visible optical range. Fully crystallized Pb(Zr0.52Ti0.48O3 (PZT films are dielectrically functional and exhibit a typical ferroelectric polarization loop with a remanent polarization of 15 μC/cm2. The permittivity value of 650, obtained with IDE AZO electrodes is equivalent to the one measured with Pt electrodes patterned with the same design, which proves the high quality of the developed transparent structures.

  11. Giant electroresistance of super-tetragonal BiFeO3-based ferroelectric tunnel junctions.

    Science.gov (United States)

    Yamada, Hiroyuki; Garcia, Vincent; Fusil, Stéphane; Boyn, Sören; Marinova, Maya; Gloter, Alexandre; Xavier, Stéphane; Grollier, Julie; Jacquet, Eric; Carrétéro, Cécile; Deranlot, Cyrile; Bibes, Manuel; Barthélémy, Agnès

    2013-06-25

    Ferroelectric tunnel junctions enable a nondestructive readout of the ferroelectric state via a change of resistance induced by switching the ferroelectric polarization. We fabricated submicrometer solid-state ferroelectric tunnel junctions based on a recently discovered polymorph of BiFeO3 with giant axial ratio ("T-phase"). Applying voltage pulses to the junctions leads to the highest resistance changes (OFF/ON ratio >10,000) ever reported with ferroelectric tunnel junctions. Along with the good retention properties, this giant effect reinforces the interest in nonvolatile memories based on ferroelectric tunnel junctions. We also show that the changes in resistance scale with the nucleation and growth of ferroelectric domains in the ultrathin BiFeO3 (imaged by piezoresponse force microscopy), thereby suggesting potential as multilevel memory cells and memristors.

  12. Crystal Structure of the Marburg Virus VP35 Oligomerization Domain

    Energy Technology Data Exchange (ETDEWEB)

    Bruhn, Jessica F.; Kirchdoerfer, Robert N.; Urata, Sarah M.; Li, Sheng; Tickle, Ian J.; Bricogne, Gérard; Saphire, Erica Ollmann (Scripps); (Globel Phasing); (UCSD)

    2016-11-09

    ABSTRACT

    Marburg virus (MARV) is a highly pathogenic filovirus that is classified in a genus distinct from that of Ebola virus (EBOV) (generaMarburgvirusandEbolavirus, respectively). Both viruses produce a multifunctional protein termed VP35, which acts as a polymerase cofactor, a viral protein chaperone, and an antagonist of the innate immune response. VP35 contains a central oligomerization domain with a predicted coiled-coil motif. This domain has been shown to be essential for RNA polymerase function. Here we present crystal structures of the MARV VP35 oligomerization domain. These structures and accompanying biophysical characterization suggest that MARV VP35 is a trimer. In contrast, EBOV VP35 is likely a tetramer in solution. Differences in the oligomeric state of this protein may explain mechanistic differences in replication and immune evasion observed for MARV and EBOV.

    IMPORTANCEMarburg virus can cause severe disease, with up to 90% human lethality. Its genome is concise, only producing seven proteins. One of the proteins, VP35, is essential for replication of the viral genome and for evasion of host immune responses. VP35 oligomerizes (self-assembles) in order to function, yet the structure by which it assembles has not been visualized. Here we present two crystal structures of this oligomerization domain. In both structures, three copies of VP35 twist about each other to form a coiled coil. This trimeric assembly is in contrast to tetrameric predictions for VP35 of Ebola virus and to known structures of homologous proteins in the measles, mumps, and Nipah viruses. Distinct oligomeric states of the Marburg and Ebola virus VP35 proteins may explain differences between them in polymerase function and immune evasion. These findings may provide a more accurate understanding of the

  13. An Automated Ab Initio Framework for Identifying New Ferroelectrics

    Science.gov (United States)

    Smidt, Tess; Reyes-Lillo, Sebastian E.; Jain, Anubhav; Neaton, Jeffrey B.

    Ferroelectric materials have a wide-range of technological applications including non-volatile RAM and optoelectronics. In this work, we present an automated first-principles search for ferroelectrics. We integrate density functional theory, crystal structure databases, symmetry tools, workflow software, and a custom analysis toolkit to build a library of known and proposed ferroelectrics. We screen thousands of candidates using symmetry relations between nonpolar and polar structure pairs. We use two search strategies 1) polar-nonpolar pairs with the same composition and 2) polar-nonpolar structure type pairs. Results are automatically parsed, stored in a database, and accessible via a web interface showing distortion animations and plots of polarization and total energy as a function of distortion. We benchmark our results against experimental data, present new ferroelectric candidates found through our search, and discuss future work on expanding this search methodology to other material classes such as anti-ferroelectrics and multiferroics.

  14. Characteristics and controllability of vortices in ferromagnetics, ferroelectrics, and multiferroics.

    Science.gov (United States)

    Zheng, Yue; Chen, W J

    2017-08-01

    Topological defects in condensed matter are attracting e significant attention due to their important role in phase transition and their fascinating characteristics. Among the various types of matter, ferroics which possess a switchable physical characteristic and form domain structure are ideal systems to form topological defects. In particular, a special class of topological defects-vortices-have been found to commonly exist in ferroics. They often manifest themselves as singular regions where domains merge in large systems, or stabilize as novel order states instead of forming domain structures in small enough systems. Understanding the characteristics and controllability of vortices in ferroics can provide us with deeper insight into the phase transition of condensed matter and also exciting opportunities in designing novel functional devices such as nano-memories, sensors, and transducers based on topological defects. In this review, we summarize the recent experimental and theoretical progress in ferroic vortices, with emphasis on those spin/dipole vortices formed in nanoscale ferromagnetics and ferroelectrics, and those structural domain vortices formed in multiferroic hexagonal manganites. We begin with an overview of this field. The fundamental concepts of ferroic vortices, followed by the theoretical simulation and experimental methods to explore ferroic vortices, are then introduced. The various characteristics of vortices (e.g. formation mechanisms, static/dynamic features, and electronic properties) and their controllability (e.g. by size, geometry, external thermal, electrical, magnetic, or mechanical fields) in ferromagnetics, ferroelectrics, and multiferroics are discussed in detail in individual sections. Finally, we conclude this review with an outlook on this rapidly developing field.

  15. Investigation of structural, ferroelectric, piezoelectric and dielectric properties of Ba0.92Ca0.08TiO3-BaTi0.96Zr0.04O3 lead-free electroceramics

    Science.gov (United States)

    Keswani, Bhavna C.; Patil, S. I.; Kolekar, Y. D.

    2018-04-01

    Lead free ferroelectric with composition 0.55Ba0.92Ca0.08TiO3-0.45BaTi0.96Zr0.04O3 (BCT8-BZT4) was synthesized by solid state reaction method and investigated their structural, ferroelectric, piezoelectric and dielectric properties. X-ray diffraction analysis shows that BCT8-BZT4 ceramic possess both tetragonal (space group P4mm) and orthorhombic (space group Amm2) crystal structure which was further confirmed from Raman spectra spectroscopy. The micronized grains were observed from scanning electron micrographs while the presence of polarization-electric field hysteresis loop confirms ferroelectric nature of BCT8-BZT4 ceramic. Higher values of maximum polarization (Pmax = 22.27 μC/cm2), remnant polarization (Pr = 11.61 μC/cm2), coercive electric field (Ec = 4.77 kV/cm) and direct piezoelectric coefficient (d33) approximately 185 pC/N were observed. The real part of dielectric constant with frequency shows the usual dielectric dispersion behaviour at RT. The observed properties show that the lead free BCT8-BZT4 ceramic is suitable for ferroelectric memory device, piezoelectric sensor, capacitor, etc. applications.

  16. Ferroelectric switching of elastin

    Science.gov (United States)

    Liu, Yuanming; Cai, Hong-Ling; Zelisko, Matthew; Wang, Yunjie; Sun, Jinglan; Yan, Fei; Ma, Feiyue; Wang, Peiqi; Chen, Qian Nataly; Zheng, Hairong; Meng, Xiangjian; Sharma, Pradeep; Zhang, Yanhang; Li, Jiangyu

    2014-01-01

    Ferroelectricity has long been speculated to have important biological functions, although its very existence in biology has never been firmly established. Here, we present compelling evidence that elastin, the key ECM protein found in connective tissues, is ferroelectric, and we elucidate the molecular mechanism of its switching. Nanoscale piezoresponse force microscopy and macroscopic pyroelectric measurements both show that elastin retains ferroelectricity at 473 K, with polarization on the order of 1 μC/cm2, whereas coarse-grained molecular dynamics simulations predict similar polarization with a Curie temperature of 580 K, which is higher than most synthetic molecular ferroelectrics. The polarization of elastin is found to be intrinsic in tropoelastin at the monomer level, analogous to the unit cell level polarization in classical perovskite ferroelectrics, and it switches via thermally activated cooperative rotation of dipoles. Our study sheds light onto a long-standing question on ferroelectric switching in biology and establishes ferroelectricity as an important biophysical property of proteins. This is a critical first step toward resolving its physiological significance and pathological implications. PMID:24958890

  17. Ferroelectricity at the nanoscale basics and applications

    CERN Document Server

    Fridkin, Vladimir

    2014-01-01

    This book examines a wide range of ferroelectric materials. It explains the theoretical background of ultrathin ferroelectric films,  presents applications of ferroelectric materials, and displays the mechanism of switching of nanosized ferroelectric films.

  18. Characterization of the local layer structure of a broad wall in a surface stabilized ferroelectric liquid crystal using synchrotron X-ray micro-diffraction

    International Nuclear Information System (INIS)

    Iida, Atsuo; Noma, Takashi; Miyata, Hirokatsu.

    1996-01-01

    The local layer structure of the broad wall of a zig-zag defect in a thin-surface stabilized ferroelectric liquid crystal cell was characterized using a synchrotron X-ray microbeam of less than 5 μm spatial resolution. By using a rocking curve measurement at the broad wall, multiple or broad peaks were observed between a pair of peaks due to a chevron structure. These new peaks are clear evidence of a modified pseudo-bookshelf structure at the wall. For 1.5 μm thick cells, a bookshelf layer is relatively flat, but is accompanied by small areas of inclined layer connecting the bookshelf and the chevron structures. For 10 μm thick cells, the pseudo-bookshelf structure bends or undulates both perpendicular and parallel to the rubbing direction. No appreciable change in the layer spacing was observed in the modified pseudo-bookshelf structure. The temperature dependence of the broad wall layer structure was also measured. (author)

  19. Characterization of the local layer structure of a broad wall in a surface stabilized ferroelectric liquid crystal using synchrotron X-ray micro-diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Iida, Atsuo [National Lab. for High Energy Physics, Tsukuba, Ibaraki (Japan); Noma, Takashi; Miyata, Hirokatsu

    1996-01-01

    The local layer structure of the broad wall of a zig-zag defect in a thin-surface stabilized ferroelectric liquid crystal cell was characterized using a synchrotron X-ray microbeam of less than 5 {mu}m spatial resolution. By using a rocking curve measurement at the broad wall, multiple or broad peaks were observed between a pair of peaks due to a chevron structure. These new peaks are clear evidence of a modified pseudo-bookshelf structure at the wall. For 1.5 {mu}m thick cells, a bookshelf layer is relatively flat, but is accompanied by small areas of inclined layer connecting the bookshelf and the chevron structures. For 10 {mu}m thick cells, the pseudo-bookshelf structure bends or undulates both perpendicular and parallel to the rubbing direction. No appreciable change in the layer spacing was observed in the modified pseudo-bookshelf structure. The temperature dependence of the broad wall layer structure was also measured. (author)

  20. Confinement in F4 Exceptional Gauge Group Using Domain Structures

    Science.gov (United States)

    Rafibakhsh, Shahnoosh; Shahlaei, Amir

    2017-03-01

    We calculate the potential between static quarks in the fundamental representation of the F4 exceptional gauge group using domain structures of the thick center vortex model. As non-trivial center elements are absent, the asymptotic string tension is lost while an intermediate linear potential is observed. SU(2) is a subgroup of F4. Investigating the decomposition of the 26 dimensional representation of F4 to the SU(2) representations, might explain what accounts for the intermediate linear potential, in the exceptional groups with no center element.

  1. Domain structure and magnetotransport in epitaxial colossal magnetoresistance thin films

    OpenAIRE

    Suzuki, Yuri; Wu, Yan; Yu, Jun; Rüdiger, Ulrich; Kent, Andrew D.; Nath, Tapan K.; Eom, Chang-Beom

    2000-01-01

    Our studies of compressively strained La0.7 Sr0.3 MnO7 (LSMO) thin films reveal the importance of domain structure and strain effects in the magnetization reversal and magnetotransport. Normal and grazing incidence x-ray diffraction indicate that the compressive strain on these LSMO thin films on (100) LaAlO3 is not completely relaxed up to thicknesses on the order of 1000 Å. The effect of the compressive strain is evident in the shape of the magnetization loops and the magnetotransport measu...

  2. Reversible optical control of macroscopic polarization in ferroelectrics

    Science.gov (United States)

    Rubio-Marcos, Fernando; Ochoa, Diego A.; Del Campo, Adolfo; García, Miguel A.; Castro, Germán R.; Fernández, José F.; García, José E.

    2018-01-01

    The optical control of ferroic properties is a subject of fascination for the scientific community, because it involves the establishment of new paradigms for technology1-9. Domains and domain walls are known to have a great impact on the properties of ferroic materials1-24. Progress is currently being made in understanding the behaviour of the ferroelectric domain wall, especially regarding its dynamic control10-12,17,19. New research is being conducted to find effective methodologies capable of modulating ferroelectric domain motion for future electronics. However, the practical use of ferroelectric domain wall motion should be both stable and reversible (rewritable) and, in particular, be able to produce a macroscopic response that can be monitored easily12,17. Here, we show that it is possible to achieve a reversible optical change of ferroelectric domains configuration. This effect leads to the tuning of macroscopic polarization and its related properties by means of polarized light, a non-contact external control. Although this is only the first step, it nevertheless constitutes the most crucial one in the long and complex process of developing the next generation of photo-stimulated ferroelectric devices.

  3. Synthesis of ferroelectric nanostructures

    Energy Technology Data Exchange (ETDEWEB)

    Roervik, Per Martin

    2008-12-15

    The increasing miniaturization of electric and mechanical components makes the synthesis and assembly of nanoscale structures an important step in modern technology. Functional materials, such as the ferroelectric perovskites, are vital to the integration and utility value of nanotechnology in the future. In the present work, chemical methods to synthesize one-dimensional (1D) nanostructures of ferroelectric perovskites have been studied. To successfully and controllably make 1D nanostructures by chemical methods it is very important to understand the growth mechanism of these nanostructures, in order to design the structures for use in various applications. For the integration of 1D nanostructures into devices it is also very important to be able to make arrays and large-area designed structures from the building blocks that single nanostructures constitute. As functional materials, it is of course also vital to study the properties of the nanostructures. The characterization of properties of single nanostructures is challenging, but essential to the use of such structures. The aim of this work has been to synthesize high quality single-crystalline 1D nanostructures of ferroelectric perovskites with emphasis on PbTiO3 , to make arrays or hierarchical nanostructures of 1D nanostructures on substrates, to understand the growth mechanisms of the 1D nanostructures, and to investigate the ferroelectric and piezoelectric properties of the 1D nanostructures. In Paper I, a molten salt synthesis route, previously reported to yield BaTiO3 , PbTiO3 and Na2Ti6O13 nanorods, was re-examined in order to elucidate the role of volatile chlorides. A precursor mixture containing barium (or lead) and titanium was annealed in the presence of NaCl at 760 degrees Celsius or 820 degrees Celsius. The main products were respectively isometric nanocrystalline BaTiO3 and PbTiO3. Nanorods were also detected, but electron diffraction revealed that the composition of the nanorods was

  4. Highly polarized single-c-domain single-crystal Pb(Mn,Nb)O(3)-PZT thin films.

    Science.gov (United States)

    Wasa, Kiyotaka; Adachi, Hideaki; Nishida, Ken; Yamamoto, Takashi; Matsushima, Tomoaki; Kanno, Isaku; Kotera, Hidetoshi

    2012-01-01

    In-plane unstrained single-c-domain/single-crystal thin films of PZT-based ternary ferroelectric perovskite, ξPb(Mn,Nb)O3-(1 - ξ)PZT, were grown on SrRuO(3)/Pt/MgO substrates using magnetron sputtering followed by quenching. The sputtered unstrained thin films exhibit unique ferroelectric properties: high coercive field, Ec > 180 kV/cm, large remanent polarization, P(r) = 100 μC/cm(2), small relative dielectric constants, ε* = 100 to 150, high Curie temperature, Tc = ~600 °C, and bulk-like large transverse piezoelectric constants, e31,f = -12.0 C/m(2) for PZT(48/52) at ξ = 0.06. The unstrained thin films are an ideal structure to extract the bulk ferroelectric properties. Their micro-structures and ferroelectric properties are discussed in relation to the potential applications for piezoelectric MEMS. © 2012 IEEE

  5. Nonequilibrium ferroelectric-ferroelastic 10 nm nanodomains: wrinkles, period-doubling, and power-law relaxation.

    Science.gov (United States)

    Scott, James F; Evans, Donald M; Katiyar, Ram S; McQuaid, Raymond G P; Gregg, J Marty

    2017-08-02

    Since the 1935 work of Landau-Lifshitz and of Kittel in 1946 all ferromagnetic, ferroelectric, and ferroelastic domains have been thought to be straight-sided with domain widths proportional to the square root of the sample thickness. We show in the present work that this is not true. We also discover period doubling domains predicted by Metaxas et al (2008 Phys. Rev. Lett. 99 217208) and modeled by Wang and Zhao (2015 Sci. Rep. 5 8887). We examine non-equilibrium ferroic domain structures in perovskite oxides with respect to folding, wrinkling, and relaxation and suggest that structures are kinetically limited and in the viscous flow regime predicted by Metaxas et al in 2008 but never observed experimentally. Comparisons are made with liquid crystals and hydrodynamic instabilities, including chevrons, and fractional power-law relaxation. As Shin et al (2016 Soft Matter 12 3502) recently emphasized: 'An understanding of how these folds initiate, propagate, and interact with each other is still lacking'. Inside each ferroelastic domain are ferroelectric 90° nano-domains with 10 nm widths and periodicity in agreement with the 10 nm theoretical minima predicted by Feigl et al (2014 Nat. Commun. 5 4677). Evidence is presented for domain-width period doubling, which is common in polymer films but unknown in ferroic domains. A discussion of the folding-to-period doubling phase transition model of Wang and Zhao is included.

  6. Building and Using Object-Oriented Frameworks for Semi-Structures Domains: The Sales Promotion Domain as Example

    NARCIS (Netherlands)

    A. Dalebout; J. van Hillegersberg (Jos); B. Wierenga (Berend)

    1998-01-01

    textabstractObject-oriented (00) frameworks are considered an important step forward in developing software applications efficiently. Success of frameworks has however predominantly been limited to structured domains.This paper describes a method for developing 00 domainframeworks for

  7. Relaxation dynamics of the conductive processes for PbNb2O6 ferroelectric ceramics in the frequency and time domain

    International Nuclear Information System (INIS)

    Gonzalez, R L; Leyet, Y; Guerrero, F; Guerra, J de Los S; Venet, M; Eiras, J A

    2007-01-01

    The relaxation dynamics of the conductive process present in PbNb 2 O 6 piezoelectric ceramics was investigated. A relaxation function in the time domain, Φ(t), was found from the frequency dependence of the dielectric modulus (imaginary component, M'') by using a relaxation function in the frequency domain, F*(ω). The best relaxation function, F*(ω), was found to be a Cole-Cole distribution function, in which relaxation characteristic parameters, such as α and τ CC , are involved. On the other hand, the relaxation function, Φ(t), obtained by the time domain method, was found to be a Kohlrausch-Williams-Watts (KWW) function type. The thermal evolution of the characteristics parameters of the KWW function (β and τ*) was analysed. The values of the activation energy (E a ), obtained in the whole investigated temperature interval, suggest the existence of a relaxation mechanism (a conductive process), which may be interpreted by an ion hopping between neighbouring sites within the crystalline lattice. The results are corroborated with the formalism of the AC conductivity

  8. Surface potential at a ferroelectric grain due to asymmetric screening of depolarization fields

    Energy Technology Data Exchange (ETDEWEB)

    Genenko, Yuri A., E-mail: genenko@mm.tu-darmstadt.de; Hirsch, Ofer [Technische Universität Darmstadt, Darmstadt (Germany); Erhart, Paul [Chalmers University of Technology, Gothenburg (Sweden)

    2014-03-14

    Nonlinear screening of electric depolarization fields, generated by a stripe domain structure in a ferroelectric grain of a polycrystalline material, is studied within a semiconductor model of ferroelectrics. It is shown that the maximum strength of local depolarization fields is rather determined by the electronic band gap than by the spontaneous polarization magnitude. Furthermore, field screening due to electronic band bending and due to presence of intrinsic defects leads to asymmetric space charge regions near the grain boundary, which produce an effective dipole layer at the surface of the grain. This results in the formation of a potential difference between the grain surface and its interior of the order of 1 V, which can be of either sign depending on defect transition levels and concentrations. Exemplary acceptor doping of BaTiO{sub 3} is shown to allow tuning of the said surface potential in the region between 0.1 and 1.3 V.

  9. Ferroelectrics: A pathway to switchable surface chemistry and catalysis

    Science.gov (United States)

    Kakekhani, Arvin; Ismail-Beigi, Sohrab; Altman, Eric I.

    2016-08-01

    It has been known for more than six decades that ferroelectricity can affect a material's surface physics and chemistry thereby potentially enhancing its catalytic properties. Ferroelectrics are a class of materials with a switchable electrical polarization that can affect surface stoichiometry and electronic structure and thus adsorption energies and modes; e.g., molecular versus dissociative. Therefore, ferroelectrics may be utilized to achieve switchable surface chemistry whereby surface properties are not fixed but can be dynamically controlled by, for example, applying an external electric field or modulating the temperature. Several important examples of applications of ferroelectric and polar materials in photocatalysis and heterogeneous catalysis are discussed. In photocatalysis, the polarization direction can control band bending at water/ferroelectric and ferroelectric/semiconductor interfaces, thereby facilitating charge separation and transfer to the electrolyte and enhancing photocatalytic activity. For gas-surface interactions, available results suggest that using ferroelectrics to support catalytically active transition metals and oxides is another way to enhance catalytic activity. Finally, the possibility of incorporating ferroelectric switching into the catalytic cycle itself is described. In this scenario, a dynamic collaboration of two polarization states can be used to drive reactions that have been historically challenging to achieve on surfaces with fixed chemical properties (e.g., direct NOx decomposition and the selective partial oxidation of methane). These predictions show that dynamic modulation of the polarization can help overcome some of the fundamental limitations on catalytic activity imposed by the Sabatier principle.

  10. Color centers in KCN: a structural analysis of crystalline domains

    International Nuclear Information System (INIS)

    Carmo, L.C.S. do.

    1976-03-01

    Pure singlecrystals of KCN exposed to X-rays showed several color centers detected by EPR. The F center was identified through the correlation of its optical absorption band which satisfies the Ivey law for the KCN lattice parameter and the EPR spectrum typical of a center in an anionic site. Two other color centers were identified: N - 2 and HCN - . Two centers assigned to hydrogen atoms have their models proposed: U 2 and U 3 centers. Two other centers remain unidentified: an anionic and an extrinsic centers. The orthorhombic character of the N - 2 center EPR parameters allowed an structural analysis of the crystal line domains in the orthorhombic phase. The optical absorption spectrum of the HCN - center in KCl matrix was investigated and showed a set of resolved bands with a constant energy splitting; this splitting was associated to a vibrational mode of the excited state of this molecular ion. (author) [pt

  11. Structural Basis of Actin Filament Nucleation by Tandem W Domains

    Science.gov (United States)

    Chen, Xiaorui; Ni, Fengyun; Tian, Xia; Kondrashkina, Elena; Wang, Qinghua; Ma, Jianpeng

    2013-01-01

    SUMMARY Spontaneous nucleation of actin is very inefficient in cells. To overcome this barrier, cells have evolved a set of actin filament nucleators to promote rapid nucleation and polymerization in response to specific stimuli. However, the molecular mechanism of actin nucleation remains poorly understood. This is hindered largely by the fact that actin nucleus, once formed, rapidly polymerizes into filament, thus making it impossible to capture stable multisubunit actin nucleus. Here, we report an effective double-mutant strategy to stabilize actin nucleus by preventing further polymerization. Employing this strategy, we solved the crystal structure of AMPPNP-actin in complex with the first two tandem W domains of Cordon-bleu (Cobl), a potent actin filament nucleator. Further sequence comparison and functional studies suggest that the nucleation mechanism of Cobl is probably shared by the p53 cofactor JMY, but not Spire. Moreover, the double-mutant strategy opens the way for atomic mechanistic study of actin nucleation and polymerization. PMID:23727244

  12. Analysis and modelling of engineering structures in frequency domain

    International Nuclear Information System (INIS)

    Ishtev, K.; Bonev, Z.; Petrov, P.; Philipov, P.

    1987-01-01

    This paper deals with some possible applications for modelling and analysis of engineering structures, basing on technique, mentioned above. The governing system of equations is written by using frequency domain approach since elemination technique has computational significance in this field. Modelling is made basing on the well known relationship Y(jw) = W(jw) * X(jw). Here X(jw) is a complex Fourier spectra associated with the imput signals being defined as earthquake, wind, hydrodynamic, control or other type of action. W(jw) is a matrix complex transfer function which reveals the correlation between input X und output Y spectra. Y (ja) represents a complex Fourier spectra of output signals. Input and output signals are both associated with master degrees of freedom, thus matrix transfer function is composed of elements in such a manner that solve unknown parameters are implemented implicitly. It is available an integration algorithm of 'condensed' system of equations. (orig./GL)

  13. Bulk magnetic domain structures visualized by neutron dark-field imaging

    International Nuclear Information System (INIS)

    Gruenzweig, C.; David, C.; Bunk, O.; Dierolf, M.; Frei, G.; Kuehne, G.; Schaefer, R.; Pofahl, S.; Roennow, H. M. R.; Pfeiffer, F.

    2008-01-01

    We report on how a neutron grating interferometer can yield projection images of the internal domain structure in bulk ferromagnetic samples. The image contrast relies on the ultrasmall angle scattering of unpolarized neutrons at domain wall structures in the specimen. The results show the basic domains of (110)-oriented sheets in an FeSi test sample. The obtained domain structures could be correlated with surface sensitive magneto-optical Kerr effect micrographs

  14. Bulk magnetic domain structures visualized by neutron dark-field imaging

    Science.gov (United States)

    Grünzweig, C.; David, C.; Bunk, O.; Dierolf, M.; Frei, G.; Kühne, G.; Schäfer, R.; Pofahl, S.; Rønnow, H. M. R.; Pfeiffer, F.

    2008-09-01

    We report on how a neutron grating interferometer can yield projection images of the internal domain structure in bulk ferromagnetic samples. The image contrast relies on the ultrasmall angle scattering of unpolarized neutrons at domain wall structures in the specimen. The results show the basic domains of (110)-oriented sheets in an FeSi test sample. The obtained domain structures could be correlated with surface sensitive magneto-optical Kerr effect micrographs.

  15. Time domain structures in a colliding magnetic flux rope experiment

    Science.gov (United States)

    Tang, Shawn Wenjie; Gekelman, Walter; Dehaas, Timothy; Vincena, Steve; Pribyl, Patrick

    2017-10-01

    Electron phase-space holes, regions of positive potential on the scale of the Debye length, have been observed in auroras as well as in laboratory experiments. These potential structures, also known as Time Domain Structures (TDS), are packets of intense electric field spikes that have significant components parallel to the local magnetic field. In an ongoing investigation at UCLA, TDS were observed on the surface of two magnetized flux ropes produced within the Large Plasma Device (LAPD). A barium oxide (BaO) cathode was used to produce an 18 m long magnetized plasma column and a lanthanum hexaboride (LaB6) source was used to create 11 m long kink unstable flux ropes. Using two probes capable of measuring the local electric and magnetic fields, correlation analysis was performed on tens of thousands of these structures and their propagation velocities, probability distribution function and spatial distribution were determined. The TDS became abundant as the flux ropes collided and appear to emanate from the reconnection region in between them. In addition, a preliminary analysis of the permutation entropy and statistical complexity of the data suggests that the TDS signals may be chaotic in nature. Work done at the Basic Plasma Science Facility (BaPSF) at UCLA which is supported by DOE and NSF.

  16. Structure of the Ebola VP35 interferon inhibitory domain.

    Science.gov (United States)

    Leung, Daisy W; Ginder, Nathaniel D; Fulton, D Bruce; Nix, Jay; Basler, Christopher F; Honzatko, Richard B; Amarasinghe, Gaya K

    2009-01-13

    Ebola viruses (EBOVs) cause rare but highly fatal outbreaks of viral hemorrhagic fever in humans, and approved treatments for these infections are currently lacking. The Ebola VP35 protein is multifunctional, acting as a component of the viral RNA polymerase complex, a viral assembly factor, and an inhibitor of host interferon (IFN) production. Mutation of select basic residues within the C-terminal half of VP35 abrogates its dsRNA-binding activity, impairs VP35-mediated IFN antagonism, and attenuates EBOV growth in vitro and in vivo. Because VP35 contributes to viral escape from host innate immunity and is required for EBOV virulence, understanding the structural basis for VP35 dsRNA binding, which correlates with suppression of IFN activity, is of high importance. Here, we report the structure of the C-terminal VP35 IFN inhibitory domain (IID) solved to a resolution of 1.4 A and show that VP35 IID forms a unique fold. In the structure, we identify 2 basic residue clusters, one of which is important for dsRNA binding. The dsRNA binding cluster is centered on Arg-312, a highly conserved residue required for IFN inhibition. Mutation of residues within this cluster significantly changes the surface electrostatic potential and diminishes dsRNA binding activity. The high-resolution structure and the identification of the conserved dsRNA binding residue cluster provide opportunities for antiviral therapeutic design. Our results suggest a structure-based model for dsRNA-mediated innate immune antagonism by Ebola VP35 and other similarly constructed viral antagonists.

  17. Mapping the structural and dynamical features of kinesin motor domains.

    Directory of Open Access Journals (Sweden)

    Guido Scarabelli

    Full Text Available Kinesin motor proteins drive intracellular transport by coupling ATP hydrolysis to conformational changes that mediate directed movement along microtubules. Characterizing these distinct conformations and their interconversion mechanism is essential to determining an atomic-level model of kinesin action. Here we report a comprehensive principal component analysis of 114 experimental structures along with the results of conventional and accelerated molecular dynamics simulations that together map the structural dynamics of the kinesin motor domain. All experimental structures were found to reside in one of three distinct conformational clusters (ATP-like, ADP-like and Eg5 inhibitor-bound. These groups differ in the orientation of key functional elements, most notably the microtubule binding α4-α5, loop8 subdomain and α2b-β4-β6-β7 motor domain tip. Group membership was found not to correlate with the nature of the bound nucleotide in a given structure. However, groupings were coincident with distinct neck-linker orientations. Accelerated molecular dynamics simulations of ATP, ADP and nucleotide free Eg5 indicate that all three nucleotide states could sample the major crystallographically observed conformations. Differences in the dynamic coupling of distal sites were also evident. In multiple ATP bound simulations, the neck-linker, loop8 and the α4-α5 subdomain display correlated motions that are absent in ADP bound simulations. Further dissection of these couplings provides evidence for a network of dynamic communication between the active site, microtubule-binding interface and neck-linker via loop7 and loop13. Additional simulations indicate that the mutations G325A and G326A in loop13 reduce the flexibility of these regions and disrupt their couplings. Our combined results indicate that the reported ATP and ADP-like conformations of kinesin are intrinsically accessible regardless of nucleotide state and support a model where neck

  18. Crystal structure of the N domain of human somatic angiotensin I-converting enzyme provides a structural basis for domain-specific inhibitor design.

    Science.gov (United States)

    Corradi, Hazel R; Schwager, Sylva L U; Nchinda, Aloysius T; Sturrock, Edward D; Acharya, K Ravi

    2006-03-31

    Human somatic angiotensin I-converting enzyme (sACE) is a key regulator of blood pressure and an important drug target for combating cardiovascular and renal disease. sACE comprises two homologous metallopeptidase domains, N and C, joined by an inter-domain linker. Both domains are capable of cleaving the two hemoregulatory peptides angiotensin I and bradykinin, but differ in their affinities for a range of other substrates and inhibitors. Previously we determined the structure of testis ACE (C domain); here we present the crystal structure of the N domain of sACE (both in the presence and absence of the antihypertensive drug lisinopril) in order to aid the understanding of how these two domains differ in specificity and function. In addition, the structure of most of the inter-domain linker allows us to propose relative domain positions for sACE that may contribute to the domain cooperativity. The structure now provides a platform for the design of "domain-specific" second-generation ACE inhibitors.

  19. Polarization-coupled tunable resistive behavior in oxide ferroelectric heterostructures

    Energy Technology Data Exchange (ETDEWEB)

    Gruverman, Alexei [Univ. of Nebraska, Lincoln, NE (United States); Tsymbal, Evgeny Y. [Univ. of Nebraska, Lincoln, NE (United States); Eom, Chang-Beom [Univ. of Wisconsin, Madison, WI (United States)

    2017-05-03

    This research focuses on investigation of the physical mechanism of the electrically and mechanically tunable resistive behavior in oxide ferroelectric heterostructures with engineered interfaces realized via a strong coupling of ferroelectric polarization with tunneling electroresistance and metal-insulator (M-I) transitions. This report describes observation of electrically conductive domain walls in semiconducting ferroelectrics, voltage-free control of resistive switching and demonstration of a new mechanism of electrical control of 2D electron gas (2DEG) at oxide interfaces. The research goals are achieved by creating strong synergy between cutting-edge fabrication of epitaxial single-crystalline complex oxides, nanoscale electrical characterization by scanning probe microscopy and theoretical modeling of the observed phenomena. The concept of the ferroelectric devices with electrically and mechanically tunable nonvolatile resistance represents a new paradigm shift in realization of the next-generation of non-volatile memory devices and low-power logic switches.

  20. Molecular ferroelectric contributions to anomalous hysteresis in hybrid perovskite solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Frost, Jarvist M.; Butler, Keith T.; Walsh, Aron, E-mail: a.walsh@bath.ac.uk [Centre for Sustainable Chemical Technologies and Department of Chemistry, University of Bath, Claverton Down, Bath BA2 7AY (United Kingdom)

    2014-08-01

    We report a model describing the molecular orientation disorder in CH{sub 3}NH{sub 3}PbI{sub 3}, solving a classical Hamiltonian parametrised with electronic structure calculations, with the nature of the motions informed by ab initio molecular dynamics. We investigate the temperature and static electric field dependence of the equilibrium ferroelectric (molecular) domain structure and resulting polarisability. A rich domain structure of twinned molecular dipoles is observed, strongly varying as a function of temperature and applied electric field. We propose that the internal electrical fields associated with microscopic polarisation domains contribute to hysteretic anomalies in the current-voltage response of hybrid organic-inorganic perovskite solar cells due to variations in electron-hole recombination in the bulk.

  1. Quantum mechanical studies of complex ferroelectric perovskites

    Science.gov (United States)

    Ramer, Nicholas John

    In many electronic device applications, there is a need to interconvert electrical energy and other types of energy. Ferroelectric materials, which possess a voltage-dependent polarization, can enable this energy conversion process. Because of the broad interest in ferroelectric materials for these devices, there is a critical research effort, both experimental and theoretical, to understand these materials and aid in the development of materials with improved properties. This thesis presents detailed quantum mechanical investigations of the behavior of a complex ferroelectric perovskite under applied stress. In particular, we have chosen to study the solid solution PbZr1-xTix O3 (PZT). Since the study of ferroelectricity involves understanding both its structural and electronic signatures in materials, it has necessitated the development of a novel theoretical technique which improves the accuracy of the pseudopotentials used in our density functional theory calculations as well as a new method for constructing three-dimensional atomistic responses to small amounts of external stress. To examine the material's behavior under larger amounts of stress, we have studied the behavior of a composition of PZT lying near a structural phase boundary. On either side of the phase boundary, the material is characterized by a different polarization direction and may easily be switched between phases by applying external stress. In addition to stress-induced phase transitions, most ferroelectric materials also have composition dependent phase boundaries. Since different compositions of PZT would require increased computational effort, we have formulated an improved virtual crystal approach that makes tractable the study of the entire composition range. Using this method, we have been able to show for the first time via first-principles calculations, a composition dependent phase transition in a ferroelectric material. This thesis has accomplished three important goals: new

  2. Topological domain walls in helimagnets

    Science.gov (United States)

    Schoenherr, P.; Müller, J.; Köhler, L.; Rosch, A.; Kanazawa, N.; Tokura, Y.; Garst, M.; Meier, D.

    2018-05-01

    Domain walls naturally arise whenever a symmetry is spontaneously broken. They interconnect regions with different realizations of the broken symmetry, promoting structure formation from cosmological length scales to the atomic level1,2. In ferroelectric and ferromagnetic materials, domain walls with unique functionalities emerge, holding great promise for nanoelectronics and spintronics applications3-5. These walls are usually of Ising, Bloch or Néel type and separate homogeneously ordered domains. Here we demonstrate that a wide variety of new domain walls occurs in the presence of spatially modulated domain states. Using magnetic force microscopy and micromagnetic simulations, we show three fundamental classes of domain walls to arise in the near-room-temperature helimagnet iron germanium. In contrast to conventional ferroics, the domain walls exhibit a well-defined inner structure, which—analogous to cholesteric liquid crystals—consists of topological disclination and dislocation defects. Similar to the magnetic skyrmions that form in the same material6,7, the domain walls can carry a finite topological charge, permitting an efficient coupling to spin currents and contributions to a topological Hall effect. Our study establishes a new family of magnetic nano-objects with non-trivial topology, opening the door to innovative device concepts based on helimagnetic domain walls.

  3. In situ transmission electron microscopy study of the microstructural origins for the electric field-induced phenomena in ferroelectric perovskites

    Science.gov (United States)

    Guo, Hanzheng

    Ferroelectrics are important materials due to their extensive technological applications, such as non-volatile memories, field-effect transistors, ferroelectric tunneling junctions, dielectric capacitors, piezoelectric transducers, sensors and actuators. As is well known, the outstanding dielectric, piezoelectric, and ferroelectric properties of these functional oxides originate from their ferroelectric domain arrangements and the corresponding evolution under external stimuli (e.g. electric field, stress, and temperature). Electric field has been known as the most efficient stimulus to manipulate the ferroelectric domains through polarization switching and alignment. Therefore, direct observation of the dynamic process of electric field-induced domain evolution and crystal structure transformation is of significant importance to understand the microstructural mechanisms for the functional properties of ferroelectrics. In this dissertation, electric field in situ transmission electron microscopy (TEM) technique was employed to monitor the real-time evolution of the domain morphology and crystal structure during various electrical processes: (1) the initial poling process, (2) the electric field reversal process, and (3) the electrical cycling process. Two types of perovskite-structured ceramics, normal ferroelectrics and relaxor ferroelectrics, were used for this investigation. In addition to providing the microscopic insight for some well-accepted phase transformation rules, discoveries of some new or even unexpected physical phenomena were also demonstrated. For the initial poling process, microstructural origins for the piezoelectricity development in the three most promising lead-free piezoceramic systems were investigated. For the non-ergodic relaxor ferroelectric compositions ( x = 6% - 9%) in the (1-x)(Bi1/2Na 1/2)TiO3-xBaTiO3 system, well-developed piezoelectricity was realized at poling fields far below the coercive field and phase transition field. Such

  4. Acoustic emission mechanism at switching of ferroelectric crystals

    International Nuclear Information System (INIS)

    Belov, V.V.; Morozova, G.P.; Serdobol'skaya, O.Yu.

    1986-01-01

    Process of acoustic emission (AE) in lead germanate (PGO) representing pure ferroelectric, and gadolinium molybdate (GMO) representing ferroelectric-ferroelastic, for which switching may be conducted both by the field and pressure, were studied. A conclusion has been drawn that piezoelectric excitation of a crystal from the surface by pulses of overpolarization current in the process of domain coalescence is the main AE source in PGO. Not only piezoresponse, but also direct sound generation in the moment of domain penetration and collapse is considered as AE mechanism in GMO

  5. Acoustic emission mechanism at switching of ferroelectric crystals

    Energy Technology Data Exchange (ETDEWEB)

    Belov, V V; Morozova, G P; Serdobol' skaya, O Yu

    1986-01-01

    Process of acoustic emission (AE) in lead germanate (PGO) representing pure ferroelectric, and gadolinium molybdate (GMO) representing ferroelectric-ferroelastic, for which switching may be conducted both by the field and pressure, were studied. A conclusion has been drawn that piezoelectric excitation of a crystal from the surface by pulses of overpolarization current in the process of domain coalescence is the main AE source in PGO. Not only piezoresponse, but also direct sound generation in the moment of domain penetration and collapse is considered as AE mechanism in GMO.

  6. Facial Image Compression Based on Structured Codebooks in Overcomplete Domain

    Directory of Open Access Journals (Sweden)

    Vila-Forcén JE

    2006-01-01

    Full Text Available We advocate facial image compression technique in the scope of distributed source coding framework. The novelty of the proposed approach is twofold: image compression is considered from the position of source coding with side information and, contrarily to the existing scenarios where the side information is given explicitly; the side information is created based on a deterministic approximation of the local image features. We consider an image in the overcomplete transform domain as a realization of a random source with a structured codebook of symbols where each symbol represents a particular edge shape. Due to the partial availability of the side information at both encoder and decoder, we treat our problem as a modification of the Berger-Flynn-Gray problem and investigate a possible gain over the solutions when side information is either unavailable or available at the decoder. Finally, the paper presents a practical image compression algorithm for facial images based on our concept that demonstrates the superior performance in the very-low-bit-rate regime.

  7. Ferroelectric properties of tungsten bronze morphotropic phase boundary systems

    International Nuclear Information System (INIS)

    Oliver, J.R.; Neurgaonkar, R.R.; Cross, L.E.; Pennsylvania State Univ., University Park, PA

    1989-01-01

    Tungsten bronze ferroelectrics which have a morphotropic phase boundary (MPB) can have a number or enhanced dielectric, piezoelectric, and electrooptic properties compared to more conventional ferroelectric materials. The structural and ferroelectric properties of several MPB bronze systems are presented, including data from sintered and hot-pressed ceramics, epitaxial thin films, and bulk single crystals. Included among these are three systems which had not been previously identified as morphotropic. The potential advantages and limitations of these MPB systems are discussed, along with considerations of the appropriate growth methods for their possible utilization in optical, piezoelectric, or pyroelectric device applications

  8. Comparison of structure, function and regulation of plant cold shock domain proteins to bacterial and animal cold shock domain proteins.

    Science.gov (United States)

    Chaikam, Vijay; Karlson, Dale T

    2010-01-01

    The cold shock domain (CSD) is among the most ancient and well conserved nucleic acid binding domains from bacteria to higher animals and plants. The CSD facilitates binding to RNA, ssDNA and dsDNA and most functions attributed to cold shock domain proteins are mediated by this nucleic acid binding activity. In prokaryotes, cold shock domain proteins only contain a single CSD and are termed cold shock proteins (Csps). In animal model systems, various auxiliary domains are present in addition to the CSD and are commonly named Y-box proteins. Similar to animal CSPs, plant CSPs contain auxiliary C-terminal domains in addition to their N-terminal CSD. Cold shock domain proteins have been shown to play important roles in development and stress adaptation in wide variety of organisms. In this review, the structure, function and regulation of plant CSPs are compared and contrasted to the characteristics of bacterial and animal CSPs. [BMB reports 2010; 43(1): 1-8].

  9. Domain structure in soft ferrites by the longitudinal Kerr effect

    International Nuclear Information System (INIS)

    Kaczmarek, R.; Dautain, M.; Barradi-Ismail, T.

    1992-01-01

    For the first time, the longitudinal Kerr effect has been used in order to observe magnetic domains and their development in power ferrites. Image subtraction and processing leads to a magnetic contrast being a quasi derivative of the domains. A kind of integration procedure applied to them permits a reconstruction of a local hysteresis which parameters closely approach the global hysteresis data. (orig.)

  10. Structural basis for phosphopantetheinyl carrier domain interactions in the terminal module of nonribosomal peptide synthetases

    Science.gov (United States)

    Liu, Ye; Zheng, Tengfei; Bruner, Steven D.

    2011-01-01

    Summary Phosphopantetheine-modified carrier domains play a central role in the template-directed, biosynthesis of several classes of primary and secondary metabolites. Fatty acids, polyketides and nonribosomal peptides are constructed on multidomain enzyme assemblies using phosphopantetheinyl thioester-linked carrier domains to traffic and activate building blocks. The carrier domain is a dynamic component of the process, shuttling pathway intermediates to sequential enzyme active sites. Here we report an approach to structurally fix carrier domain/enzyme constructs suitable for X-ray crystallographic analysis. The structure of a two-domain construct of E. coli EntF was determined with a conjugated phosphopantetheinyl-based inhibitor. The didomain structure is locked in an active orientation relevant to the chemistry of nonribosomal peptide biosynthesis. This structure provides details into the interaction of phosphopantetheine arm with the carrier domain and the active site of the thioesterase domain. PMID:22118682

  11. Characterization Of Graphene-Ferroelectric Superlattice Hybrid Devices

    Science.gov (United States)

    Yusuf, Mohammed; Du, Xu; Dawber, Matthew

    2013-03-01

    Ferroelectric materials possess a spontaneous electrical polarization, which can be controlled by an electric field. A good interface between ferroelectric surface and graphene sheets can introduce a new generation of multifunctional devices, in which the ferroelectric material can be used to control the properties of graphene. In our approach, problems encountered in previous efforts to combine ferroelectric/carbon systems are overcome by the use of artificially layered superlattice materials grown in the form of epitaxial thin films. In these materials the phase transition temperature and dielectric response of the material can be tailored, allowing us to avoid polarization screening by surface absorbates, whilst maintaining an atomically smooth surface and optimal charge doping properties. Using ferroelectric PbTiO3/SrTiO3 superlattices, we have shown ultra-low-voltage operation of graphene field effect devices within +/- 1 V at room temperature. The switching of the graphene field effect transistors is characterized by pronounced resistance hysteresis, suitable for ultra-fast non-volatile electronics. Low temperature characterization confirmed that the coercive field required for the ferroelectric domain switching increases significantly with decreasing temperatures. National Science Foundation (NSF) (grant number 1105202)

  12. Application of modern tensor calculus to engineered domain structures. 2. Tensor distinction of domain states

    Czech Academy of Sciences Publication Activity Database

    Kopský, Vojtěch

    2006-01-01

    Roč. 62, - (2006), s. 65-76 ISSN 0108-7673 R&D Projects: GA ČR GA202/04/0992 Institutional research plan: CEZ:AV0Z10100520 Keywords : tensorial covariants * domain states * stability spaces Subject RIV: BE - Theoretical Physics Impact factor: 1.676, year: 2006

  13. Ferroelectric crystals for photonic applications including nanoscale fabrication and characterization techniques

    CERN Document Server

    Ferraro, Pietro; De Natale, Paolo

    2015-01-01

    This book details the latest achievements in ferroelectric domain engineering and characterization at micro- and nano-scale dimensions and periods. It combines basic research of magnetic materials with device and production orientation.

  14. Structure function relations in PDZ-domain-containing proteins ...

    Indian Academy of Sciences (India)

    G P Manjunath

    2017-12-30

    Dec 30, 2017 ... Implications for protein networks in cellular signalling ..... However, surface plasmon resonance .... entiate between conformation changes in the PDZ domain or .... NHERF1, through long-range electrostatic and hydrophobic.

  15. A hybrid ferroelectric-flash memory cells

    Science.gov (United States)

    Park, Jae Hyo; Byun, Chang Woo; Seok, Ki Hwan; Kim, Hyung Yoon; Chae, Hee Jae; Lee, Sol Kyu; Son, Se Wan; Ahn, Donghwan; Joo, Seung Ki

    2014-09-01

    A ferroelectric-flash (F-flash) memory cells having a metal-ferroelectric-nitride-oxynitride-silicon structure are demonstrated, and the ferroelectric materials were perovskite-dominated Pb(Zr,Ti)O3 (PZT) crystallized by Pt gate electrode. The PZT thin-film as a blocking layer improves electrical and memorial performance where programming and erasing mechanism are different from the metal-ferroelectric-insulator-semiconductor device or the conventional silicon-oxide-nitride-oxide-silicon device. F-flash cells exhibit not only the excellent electrical transistor performance, having 442.7 cm2 V-1 s-1 of field-effect mobility, 190 mV dec-1 of substhreshold slope, and 8 × 105 on/off drain current ratio, but also a high reliable memory characteristics, having a large memory window (6.5 V), low-operating voltage (0 to -5 V), faster P/E switching speed (50/500 μs), long retention time (>10 years), and excellent fatigue P/E cycle (>105) due to the boosting effect, amplification effect, and energy band distortion of nitride from the large polarization. All these characteristics correspond to the best performances among conventional flash cells reported so far.

  16. Domain switching in single-phase multiferroics

    Science.gov (United States)

    Jia, Tingting; Cheng, Zhenxiang; Zhao, Hongyang; Kimura, Hideo

    2018-06-01

    Multiferroics are a time-honoured research subject by reason for their tremendous application potential in the information industry, such as in multi-state information storage devices and new types of sensors. An outburst of studies on multiferroicity has been witnessed in the 21st century, although this field has a long research history since the 19th century. Multiferroicity has now become one of the hottest research topics in condensed matter physics and materials science. Numerous efforts have been made to investigate the cross-coupling phenomena among ferroic orders such as ferroelectricity, (anti-)ferromagnetism, and ferroelasticity, especially the coupling between electric and magnetic orderings that would account for the magnetoelectric (ME) effect in multiferroic materials. The magnetoelectric properties and coupling behavior of single phase multiferroics are dominated by their domain structures. It was also noted that, however, the multiferroic materials exhibit very complicated domain structures. Studies on domain structure characterization and domain switching are a crucial step in the exploration of approaches to the control and manipulation of magnetic (electric) properties using an electric (magnetic) field or other means. In this review, following a concise outline of our current basic knowledge on the magnetoelectric (ME) effect, we summarize some important research activities on domain switching in single-phase multiferroic materials in the form of single crystals and thin films, especially domain switching behavior involving strain and the related physics in the last decade. We also introduce recent developments in characterization techniques for domain structures of ferroelectric or multiferroic materials, which have significantly advanced our understanding of domain switching dynamics and interactions. The effects of a series of issues such as electric field, magnetic field, and stress effects on domain switching are been discussed as well. It

  17. Out-of-Plane Piezoelectricity and Ferroelectricity in Layered α-In2Se3 Nanoflakes.

    Science.gov (United States)

    Zhou, Yu; Wu, Di; Zhu, Yihan; Cho, Yujin; He, Qing; Yang, Xiao; Herrera, Kevin; Chu, Zhaodong; Han, Yu; Downer, Michael C; Peng, Hailin; Lai, Keji

    2017-09-13

    Piezoelectric and ferroelectric properties in the two-dimensional (2D) limit are highly desired for nanoelectronic, electromechanical, and optoelectronic applications. Here we report the first experimental evidence of out-of-plane piezoelectricity and ferroelectricity in van der Waals layered α-In 2 Se 3 nanoflakes. The noncentrosymmetric R3m symmetry of the α-In 2 Se 3 samples is confirmed by scanning transmission electron microscopy, second-harmonic generation, and Raman spectroscopy measurements. Domains with opposite polarizations are visualized by piezo-response force microscopy. Single-point poling experiments suggest that the polarization is potentially switchable for α-In 2 Se 3 nanoflakes with thicknesses down to ∼10 nm. The piezotronic effect is demonstrated in two-terminal devices, where the Schottky barrier can be modulated by the strain-induced piezopotential. Our work on polar α-In 2 Se 3 , one of the model 2D piezoelectrics and ferroelectrics with simple crystal structures, shows its great potential in electronic and photonic applications.

  18. Effects of Bi doping on dielectric and ferroelectric properties

    Indian Academy of Sciences (India)

    [Pb0.95(La1−Bi)0.05][Zr0.53Ti0.47]O3 (PLBZT) ferroelectric thin films have been synthesized on indium tin oxide (ITO)-coated glass by sol–gel processing. PLBZT thin films were annealed at a relatively low temperature of 550 °C in oxygen ambient. Effects of Bi doping on structure, dielectric and ferroelectric properties of ...

  19. Structure of a two-CAP-domain protein from the human hookworm parasite Necator americanus

    Energy Technology Data Exchange (ETDEWEB)

    Asojo, Oluwatoyin A., E-mail: oasojo@unmc.edu [Pathology and Microbiology Department, 986495 Nebraska Medical Center, Omaha, NE 68198-6495 (United States)

    2011-05-01

    The first structure of a two-CAP-domain protein, Na-ASP-1, from the major human hookworm parasite N. americanus refined to a resolution limit of 2.2 Å is presented. Major proteins secreted by the infective larval stage hookworms upon host entry include Ancylostoma secreted proteins (ASPs), which are characterized by one or two CAP (cysteine-rich secretory protein/antigen 5/pathogenesis related-1) domains. The CAP domain has been reported in diverse phylogenetically unrelated proteins, but has no confirmed function. The first structure of a two-CAP-domain protein, Na-ASP-1, from the major human hookworm parasite Necator americanus was refined to a resolution limit of 2.2 Å. The structure was solved by molecular replacement (MR) using Na-ASP-2, a one-CAP-domain ASP, as the search model. The correct MR solution could only be obtained by truncating the polyalanine model of Na-ASP-2 and removing several loops. The structure reveals two CAP domains linked by an extended loop. Overall, the carboxyl-terminal CAP domain is more similar to Na-ASP-2 than to the amino-terminal CAP domain. A large central cavity extends from the amino-terminal CAP domain to the carboxyl-terminal CAP domain, encompassing the putative CAP-binding cavity. The putative CAP-binding cavity is a characteristic cavity in the carboxyl-terminal CAP domain that contains a His and Glu pair. These residues are conserved in all single-CAP-domain proteins, but are absent in the amino-terminal CAP domain. The conserved His residues are oriented such that they appear to be capable of directly coordinating a zinc ion as observed for CAP proteins from reptile venoms. This first structure of a two-CAP-domain ASP can serve as a template for homology modeling of other two-CAP-domain proteins.

  20. Structure of a two-CAP-domain protein from the human hookworm parasite Necator americanus

    International Nuclear Information System (INIS)

    Asojo, Oluwatoyin A.

    2011-01-01

    The first structure of a two-CAP-domain protein, Na-ASP-1, from the major human hookworm parasite N. americanus refined to a resolution limit of 2.2 Å is presented. Major proteins secreted by the infective larval stage hookworms upon host entry include Ancylostoma secreted proteins (ASPs), which are characterized by one or two CAP (cysteine-rich secretory protein/antigen 5/pathogenesis related-1) domains. The CAP domain has been reported in diverse phylogenetically unrelated proteins, but has no confirmed function. The first structure of a two-CAP-domain protein, Na-ASP-1, from the major human hookworm parasite Necator americanus was refined to a resolution limit of 2.2 Å. The structure was solved by molecular replacement (MR) using Na-ASP-2, a one-CAP-domain ASP, as the search model. The correct MR solution could only be obtained by truncating the polyalanine model of Na-ASP-2 and removing several loops. The structure reveals two CAP domains linked by an extended loop. Overall, the carboxyl-terminal CAP domain is more similar to Na-ASP-2 than to the amino-terminal CAP domain. A large central cavity extends from the amino-terminal CAP domain to the carboxyl-terminal CAP domain, encompassing the putative CAP-binding cavity. The putative CAP-binding cavity is a characteristic cavity in the carboxyl-terminal CAP domain that contains a His and Glu pair. These residues are conserved in all single-CAP-domain proteins, but are absent in the amino-terminal CAP domain. The conserved His residues are oriented such that they appear to be capable of directly coordinating a zinc ion as observed for CAP proteins from reptile venoms. This first structure of a two-CAP-domain ASP can serve as a template for homology modeling of other two-CAP-domain proteins

  1. Suppression of slow capacitance relaxation phenomenon in Pt/Ba0.3Sr0.7TiO3/Pt thin film ferroelectric structures by annealing in oxygen atmosphere

    KAUST Repository

    Altynnikov, A. G.

    2014-01-27

    The impact of oxygen annealing on the switching time of ferroelectric thin film capacitor structures Pt/Ba0.3Sr0.7TiO3/Pt was investigated. The response of their capacitance on pulsed control voltages before and after annealing was experimentally measured. It was demonstrated that the annealing results in suppression of the capacitance slow relaxation processes and increase of the threshold control voltages. These structures can therefore be attractive for fabrication of fast acting microwave devices. © 2014 Author(s).

  2. The crystal structures of EAP domains from Staphylococcus aureus reveal an unexpected homology to bacterial superantigens.

    Science.gov (United States)

    Geisbrecht, Brian V; Hamaoka, Brent Y; Perman, Benjamin; Zemla, Adam; Leahy, Daniel J

    2005-04-29

    The Eap (extracellular adherence protein) of Staphylococcus aureus functions as a secreted virulence factor by mediating interactions between the bacterial cell surface and several extracellular host proteins. Eap proteins from different Staphylococcal strains consist of four to six tandem repeats of a structurally uncharacterized domain (EAP domain). We have determined the three-dimensional structures of three different EAP domains to 1.8, 2.2, and 1.35 A resolution, respectively. These structures reveal a core fold that is comprised of an alpha-helix lying diagonally across a five-stranded, mixed beta-sheet. Comparison of EAP domains with known structures reveals an unexpected homology with the C-terminal domain of bacterial superantigens. Examination of the structure of the superantigen SEC2 bound to the beta-chain of a T-cell receptor suggests a possible ligand-binding site within the EAP domain (Fields, B. A., Malchiodi, E. L., Li, H., Ysern, X., Stauffacher, C. V., Schlievert, P. M., Karjalainen, K., and Mariuzza, R. (1996) Nature 384, 188-192). These results provide the first structural characterization of EAP domains, relate EAP domains to a large class of bacterial toxins, and will guide the design of future experiments to analyze EAP domain structure/function relationships.

  3. Molecular ferroelectrics: where electronics meet biology.

    Science.gov (United States)

    Li, Jiangyu; Liu, Yuanming; Zhang, Yanhang; Cai, Hong-Ling; Xiong, Ren-Gen

    2013-12-28

    In the last several years, we have witnessed significant advances in molecular ferroelectrics, with the ferroelectric properties of molecular crystals approaching those of barium titanate. In addition, ferroelectricity has been observed in biological systems, filling an important missing link in bioelectric phenomena. In this perspective, we will present short historical notes on ferroelectrics, followed by an overview of the fundamentals of ferroelectricity. The latest developments in molecular ferroelectrics and biological ferroelectricity will then be highlighted, and their implications and potential applications will be discussed. We close by noting molecular ferroelectric as an exciting frontier between electronics and biology, and a number of challenges ahead are also described.

  4. Structure of the thioredoxin-fold domain of human phosducin-like protein 2

    International Nuclear Information System (INIS)

    Lou, Xiaochu; Bao, Rui; Zhou, Cong-Zhao; Chen, Yuxing

    2009-01-01

    The X-ray crystal structure of the Trx-fold domain of hPDCL2 was solved at 2.70 Å resolution and resembled the Trx-fold domain of rat phosducin. Human phosducin-like protein 2 (hPDCL2) has been identified as belonging to subgroup II of the phosducin (Pdc) family. The members of this family share an N-terminal helix domain and a C-terminal thioredoxin-fold (Trx-fold) domain. The X-ray crystal structure of the Trx-fold domain of hPDCL2 was solved at 2.70 Å resolution and resembled the Trx-fold domain of rat phosducin. Comparative structural analysis revealed the structural basis of their putative functional divergence

  5. Surface potential domains on lamellar P3OT structures

    Energy Technology Data Exchange (ETDEWEB)

    Perez-GarcIa, B [Departamento Fisica, Facultad de Quimica (Campus Espinardo), Universidad de Murcia, E-30100 Murcia (Spain); Abad, J [Departamento Fisica, Facultad de Quimica (Campus Espinardo), Universidad de Murcia, E-30100 Murcia (Spain); Urbina, A [Departamento Electronica, TecnologIa de Computadoras y Proyectos, Universidad Politecnica de Cartagena, E-30202 Cartagena (Spain); Colchero, J [Departamento Fisica, Facultad de Quimica (Campus Espinardo), Universidad de Murcia, E-30100 Murcia (Spain); Palacios-Lidon, E [Departamento Fisica, Facultad de Quimica (Campus Espinardo), Universidad de Murcia, E-30100 Murcia (Spain)

    2008-02-13

    In this work the electrostatic properties of poly(3-octylthiophene) thin films have been studied on a nanometer scale by means of electrostatic force microscopy and Kelvin probe microscopy (KPM). The KPM images reveal that different surface contact potential domains coexist on the polymer surface. This result, together with additional capacitance measurements, indicates that the potential domains are related to the existence of dipoles due to different molecular arrangements. Finally, capacitance measurements as a function of the tip-sample bias voltage show that in all regions large band bending effects take place.

  6. Surface potential domains on lamellar P3OT structures

    International Nuclear Information System (INIS)

    Perez-GarcIa, B; Abad, J; Urbina, A; Colchero, J; Palacios-Lidon, E

    2008-01-01

    In this work the electrostatic properties of poly(3-octylthiophene) thin films have been studied on a nanometer scale by means of electrostatic force microscopy and Kelvin probe microscopy (KPM). The KPM images reveal that different surface contact potential domains coexist on the polymer surface. This result, together with additional capacitance measurements, indicates that the potential domains are related to the existence of dipoles due to different molecular arrangements. Finally, capacitance measurements as a function of the tip-sample bias voltage show that in all regions large band bending effects take place

  7. Individual domain wall resistance in submicron ferromagnetic structures.

    Science.gov (United States)

    Danneau, R; Warin, P; Attané, J P; Petej, I; Beigné, C; Fermon, C; Klein, O; Marty, A; Ott, F; Samson, Y; Viret, M

    2002-04-15

    The resistance generated by individual domain walls is measured in a FePd nanostructure. Combining transport and magnetic imaging measurements, the intrinsic domain wall resistance is quantified. It is found positive and of a magnitude consistent with that predicted by models based on spin scattering effects within the walls. This magnetoresistance at a nanometer scale allows a direct counting of the number of walls inside the nanostructure. The effect is then used to measure changes in the magnetic configuration of submicron stripes under application of a magnetic field.

  8. Fast Ferroelectric L-Band Tuner for ILC Cavities

    Energy Technology Data Exchange (ETDEWEB)

    Hirshfield, Jay L

    2010-03-15

    Design, analysis, and low-power tests are described on a 1.3 GHz ferroelectric tuner that could find application in the International Linear Collider or in Project X at Fermi National Accelerator Laboratory. The tuner configuration utilizes a three-deck sandwich imbedded in a WR-650 waveguide, in which ferroelectric bars are clamped between conducting plates that allow the tuning bias voltage to be applied. Use of a reduced one-third structure allowed tests of critical parameters of the configuration, including phase shift, loss, and switching speed. Issues that were revealed that require improvement include reducing loss tangent in the ferroelectric material, development of a reliable means of brazing ferroelectric elements to copper parts of the tuner, and simplification of the mechanical design of the configuration.

  9. Concurrent transition of ferroelectric and magnetic ordering near room temperature.

    Science.gov (United States)

    Ko, Kyung-Tae; Jung, Min Hwa; He, Qing; Lee, Jin Hong; Woo, Chang Su; Chu, Kanghyun; Seidel, Jan; Jeon, Byung-Gu; Oh, Yoon Seok; Kim, Kee Hoon; Liang, Wen-I; Chen, Hsiang-Jung; Chu, Ying-Hao; Jeong, Yoon Hee; Ramesh, Ramamoorthy; Park, Jae-Hoon; Yang, Chan-Ho

    2011-11-29

    Strong spin-lattice coupling in condensed matter gives rise to intriguing physical phenomena such as colossal magnetoresistance and giant magnetoelectric effects. The phenomenological hallmark of such a strong spin-lattice coupling is the manifestation of a large anomaly in the crystal structure at the magnetic transition temperature. Here we report that the magnetic Néel temperature of the multiferroic compound BiFeO(3) is suppressed to around room temperature by heteroepitaxial misfit strain. Remarkably, the ferroelectric state undergoes a first-order transition to another ferroelectric state simultaneously with the magnetic transition temperature. Our findings provide a unique example of a concurrent magnetic and ferroelectric transition at the same temperature among proper ferroelectrics, taking a step toward room temperature magnetoelectric applications.

  10. Aperiodic topological order in the domain configurations of functional materials

    Science.gov (United States)

    Huang, Fei-Ting; Cheong, Sang-Wook

    2017-03-01

    In numerous functional materials, such as steels, ferroelectrics and magnets, new functionalities can be achieved through the engineering of the domain structures, which are associated with the ordering of certain parameters within the material. The recent progress in technologies that enable imaging at atomic-scale spatial resolution has transformed our understanding of domain topology, revealing that, along with simple stripe-like or irregularly shaped domains, intriguing vortex-type topological domain configurations also exist. In this Review, we present a new classification scheme of 'Zm Zn domains with Zl vortices' for 2D macroscopic domain structures with m directional variants and n translational antiphases. This classification, together with the concepts of topological protection and topological charge conservation, can be applied to a wide range of materials, such as multiferroics, improper ferroelectrics, layered transition metal dichalcogenides and magnetic superconductors, as we discuss using selected examples. The resulting topological considerations provide a new basis for the understanding of the formation, kinetics, manipulation and property optimization of domains and domain boundaries in functional materials.

  11. Structure determination of human Lck unique and SH3 domains by nuclear magnetic resonance spectroscopy

    Directory of Open Access Journals (Sweden)

    Willbold Dieter

    2003-05-01

    Full Text Available Abstract Background Protein tyrosine kinases are involved in signal transduction pathways that regulate cell growth, differentiation, activation and transformation. Human lymphocyte specific kinase (Lck is a 56 kDa protein involved in T-cell- and IL2-receptor signaling. Three-dimensional structures are known for SH3, SH2 and kinase domains of Lck as well as for other tyrosine kinases. No structure is known for the unique domain of any Src-type tyrosine kinase. Results Lck(1–120 comprising unique and SH3 domains was structurally investigated by nuclear magnetic resonance spectroscopy. We found the unique domain, in contrast to the SH3 part, to have basically no defined structural elements. The solution structure of the SH3 part could be determined with very high precision. It does not show significant differences to Lck SH3 in the absence of the unique domain. Minor differences were observed to the X-ray structure of Lck SH3. Conclusion The unique domain of Lck does not contain any defined structure elements in the absence of ligands and membranes. Presence of the unique domain is not relevant to the three-dimensional structure of the Lck SH3 domain.

  12. Dynamic Analysis of Partially Embedded Structures Considering Soil-Structure Interaction in Time Domain

    Directory of Open Access Journals (Sweden)

    Sanaz Mahmoudpour

    2011-01-01

    Full Text Available Analysis and design of structures subjected to arbitrary dynamic loadings especially earthquakes have been studied during past decades. In practice, the effects of soil-structure interaction on the dynamic response of structures are usually neglected. In this study, the effect of soil-structure interaction on the dynamic response of structures has been examined. The substructure method using dynamic stiffness of soil is used to analyze soil-structure system. A coupled model based on finite element method and scaled boundary finite element method is applied. Finite element method is used to analyze the structure, and scaled boundary finite element method is applied in the analysis of unbounded soil region. Due to analytical solution in the radial direction, the radiation condition is satisfied exactly. The material behavior of soil and structure is assumed to be linear. The soil region is considered as a homogeneous half-space. The analysis is performed in time domain. A computer program is prepared to analyze the soil-structure system. Comparing the results with those in literature shows the exactness and competency of the proposed method.

  13. Structural rearrangement of the intracellular domains during AMPA receptor activation

    DEFF Research Database (Denmark)

    Zachariassen, Linda Grønborg; Katchan, Ljudmila; Jensen, Anna Guldvang

    2016-01-01

    -clamp fluorometry of the double- and single-insert constructs showed that both the intracellular C-terminal domain (CTD) and the loop region between the M1 and M2 helices move during activation and the CTD is detached from the membrane. Our time-resolved measurements revealed unexpectedly complex fluorescence...

  14. Inference of domain structure at elevated temperature in fine ...

    African Journals Online (AJOL)

    The thermal variation of the number of domains (nd) for Fe7S8 particles (within the size range 1-30 mm and between 20 and 300°C), has been inferred from the room temperature analytic expression between nd and particle size (L), the temperature dependences of the anisotropy energy constant (K) and the spontaneous ...

  15. Broadening microwave absorption via a multi-domain structure

    Directory of Open Access Journals (Sweden)

    Zhengwang Liu

    2017-04-01

    Full Text Available Materials with a high saturation magnetization have gained increasing attention in the field of microwave absorption; therefore, the magnetization value depends on the magnetic configuration inside them. However, the broad-band absorption in the range of microwave frequency (2-18 GHz is a great challenge. Herein, the three-dimensional (3D Fe/C hollow microspheres are constructed by iron nanocrystals permeating inside carbon matrix with a saturation magnetization of 340 emu/g, which is 1.55 times as that of bulk Fe, unexpectedly. Electron tomography, electron holography, and Lorentz transmission electron microscopy imaging provide the powerful testimony about Fe/C interpenetration and multi-domain state constructed by vortex and stripe domains. Benefiting from the unique chemical and magnetic microstructures, the microwave minimum absorption is as strong as −55 dB and the bandwidth (<−10 dB spans 12.5 GHz ranging from 5.5 to 18 GHz. Morphology and distribution of magnetic nano-domains can be facilely regulated by a controllable reduction sintering under H2/Ar gas and an optimized temperature over 450–850 °C. The findings might shed new light on the synthesis strategies of the materials with the broad-band frequency and understanding the association between multi-domain coupling and microwave absorption performance.

  16. Electronic ferroelectricity in carbon-based systems: from reality of organic conductors to promises of polymers and graphene nano-ribbons

    International Nuclear Information System (INIS)

    Kirova, Natasha; Brazovskii, Serguei

    2014-01-01

    Ferroelectricity is a rising demand in fundamental and applied solid state physics. Ferroelectrics are used in microelectronics as active gate materials, in capacitors, electro-optical-acoustic modulators, etc. There is a particular demand for plastic ferroelectrics, e.g. as a sensor for acoustic imaging in medicine and beyond, in shapeable capacitors, etc. Microscopic mechanisms of ferroelectric polarization in traditional materials are typically ionic. In this talk we discuss the electronic ferroelectrics – carbon-based materials: organic crystals, conducting polymers and graphene nano-ribbons. The motion of walls, separating domains with opposite electric polarisation, can be influenced and manipulated by terahertz and infra-red range optics

  17. Removable polytetrafluoroethylene template based epitaxy of ferroelectric copolymer thin films

    Science.gov (United States)

    Xia, Wei; Chen, Qiusong; Zhang, Jian; Wang, Hui; Cheng, Qian; Jiang, Yulong; Zhu, Guodong

    2018-04-01

    In recent years ferroelectric polymers have shown their great potentials in organic and flexible electronics. To meet the requirements of high-performance and low energy consumption of novel electronic devices and systems, structural and electrical properties of ferroelectric polymer thin films are expected to be further optimized. One possible way is to realize epitaxial growth of ferroelectric thin films via removable high-ordered polytetrafluoroethylene (PTFE) templates. Here two key parameters in epitaxy process, annealing temperature and applied pressure, are systematically studied and thus optimized through structural and electrical measurements of ferroelectric copolymer thin films. Experimental results indicate that controlled epitaxial growth is realized via suitable combination of both parameters. Annealing temperature above the melting point of ferroelectric copolymer films is required, and simultaneously moderate pressure (around 2.0 MPa here) should be applied. Over-low pressure (around 1.0 MPa here) usually results in the failure of epitaxy process, while over-high pressure (around 3.0 MPa here) often results in residual of PTFE templates on ferroelectric thin films.

  18. Ferroelectricity the fundamentals collection

    CERN Document Server

    Jimenez, Basilio

    2008-01-01

    This indispensable collection of seminal papers on ferroelectricity provides an overview over almost a hundred years of basic and applied research. Containing historic contributions from renowned authors, this book presents developments in an area of science that is still rapidly growing. Although primarily aimed at scientists and academics involved in research, this will also be of use to students as well as newcomers to the field.

  19. Purification of SOCS (Suppressor of Cytokine Signaling) SH2 Domains for Structural and Functional Studies.

    Science.gov (United States)

    Liau, Nicholas P D; Laktyushin, Artem; Babon, Jeffrey J

    2017-01-01

    Src Homology 2 (SH2) domains are protein domains which have a high binding affinity for specific amino acid sequences containing a phosphorylated tyrosine residue. The Suppressors of Cytokine Signaling (SOCS) proteins use an SH2 domain to bind to components of certain cytokine signaling pathways to downregulate the signaling cascade. The recombinantly produced SH2 domains of various SOCS proteins have been used to undertake structural and functional studies elucidating the method of how such targeting occurs. Here, we describe the protocol for the recombinant production and purification of SOCS SH2 domains, with an emphasis on SOCS3.

  20. Adapting Bayes Network Structures to Non-stationary Domains

    DEFF Research Database (Denmark)

    Nielsen, Søren Holbech; Nielsen, Thomas Dyhre

    2008-01-01

    When an incremental structural learning method gradually modifies a Bayesian network (BN) structure to fit a sequential stream of observations, we call the process structural adaptation. Structural adaptation is useful when the learner is set to work in an unknown environment, where a BN is gradu...

  1. Fast Ferroelectric L-band Tuner

    International Nuclear Information System (INIS)

    Kazakov, S. Yu.; Yakovlev, V. P.; Hirshfield, J. L.; Kanareykin, A. D.; Nenasheva, E. A.

    2006-01-01

    Description is given of a preliminary conceptual design for a tuner that employs a new ferroelectric ceramic that allows fast changes in coupling between the SRF acceleration structure of a linac and the external RF feeding line. The switching time of this device is in the range of a few microseconds. Utilization of this tuner is predicted to decrease Ohmic losses in the acceleration structure and thereby to reduce the power consumption of the linac. Using parameters of the TESLA-800 collider as an example, it is shown that it may be possible to reduce the ac mains power consumption by 12 MW, or about by 10%. The design of the tuner that is described allows reduced pulsed and average heating of the ferroelectric ceramics

  2. Magnetic domain structure of MnAs thin films as a function of temperature

    International Nuclear Information System (INIS)

    Mizuguchi, Masaki; Manago, Takashi; Akinaga, Hiroyuki; Kuramochi, Hiromi; Okabayashi, Jun

    2003-01-01

    We have investigate magnetic domain structures of MnAs thin films grown on GaAs substrates by a magnetic force microscope. We observed, by an atomic force microscope, rectangular defects along GaAs [110] direction which disperse randomly on the surface of MnAs/GaAs(001). The Curie temperature of MnAs is 45degC, and it is successfully confirmed directly by the variable temperature magnetic force microscope observation. We also investigated magnetic domain structures of MnAs/GaAs(111)B, and no apparent relation was observed between the topographic structure and the magnetic domain structure. (author)

  3. Photoinduced domain structures in monocrystalline films of yttrium-iron garnets

    International Nuclear Information System (INIS)

    Doroshenko, R.A.; Vladimirov, I.V.; Setchenkov, M.S.

    1988-01-01

    Results of investigating the domain structure in Y 3 Fe 5 O 12 epitaxial films under polarized light effect are presented. The domain structure was observed using Faraday effect at 80 K, crystallographic directions were determined by X-ray method. The sample structure is shown to consist of macrodomains, which parallel boundaries are oriented on (011), (110), (101) and are reoriented under the light effect, therewith easiest magnetization axes are brought about perpendicular to vector E of the affecting light. When explaining such changes in domain structure elastic stresses and induced anisotropy of elastic nature must be taken accout of

  4. Ferromagnetic domain structures and spin configurations measured in doped manganite

    DEFF Research Database (Denmark)

    He, J.Q.; Volkov, V.V.; Beleggia, Marco

    2010-01-01

    We report on measurements of the spin configuration across ferromagnetic domains in La0.325Pr0.3Ca0.375MnO3 films obtained by means of low-temperature Lorentz electron microscopy with in situ magnetizing capabilities. Due to the particular crystal symmetry of the material, we observe two sets of ...... and the crystal symmetry might affect the magnetoresistivity under an applied magnetic field in a strongly correlated electron system....

  5. CATHEDRAL: a fast and effective algorithm to predict folds and domain boundaries from multidomain protein structures.

    Directory of Open Access Journals (Sweden)

    Oliver C Redfern

    2007-11-01

    Full Text Available We present CATHEDRAL, an iterative protocol for determining the location of previously observed protein folds in novel multidomain protein structures. CATHEDRAL builds on the features of a fast secondary-structure-based method (using graph theory to locate known folds within a multidomain context and a residue-based, double-dynamic programming algorithm, which is used to align members of the target fold groups against the query protein structure to identify the closest relative and assign domain boundaries. To increase the fidelity of the assignments, a support vector machine is used to provide an optimal scoring scheme. Once a domain is verified, it is excised, and the search protocol is repeated in an iterative fashion until all recognisable domains have been identified. We have performed an initial benchmark of CATHEDRAL against other publicly available structure comparison methods using a consensus dataset of domains derived from the CATH and SCOP domain classifications. CATHEDRAL shows superior performance in fold recognition and alignment accuracy when compared with many equivalent methods. If a novel multidomain structure contains a known fold, CATHEDRAL will locate it in 90% of cases, with <1% false positives. For nearly 80% of assigned domains in a manually validated test set, the boundaries were correctly delineated within a tolerance of ten residues. For the remaining cases, previously classified domains were very remotely related to the query chain so that embellishments to the core of the fold caused significant differences in domain sizes and manual refinement of the boundaries was necessary. To put this performance in context, a well-established sequence method based on hidden Markov models was only able to detect 65% of domains, with 33% of the subsequent boundaries assigned within ten residues. Since, on average, 50% of newly determined protein structures contain more than one domain unit, and typically 90% or more of these

  6. Solution structure of the Grb2 SH2 domain complexed with a high-affinity inhibitor

    International Nuclear Information System (INIS)

    Ogura, Kenji; Shiga, Takanori; Yokochi, Masashi; Yuzawa, Satoru; Burke, Terrence R.; Inagaki, Fuyuhiko

    2008-01-01

    The solution structure of the growth factor receptor-bound protein 2 (Grb2) SH2 domain complexed with a high-affinity inhibitor containing a non-phosphorus phosphate mimetic within a macrocyclic platform was determined by nuclear magnetic resonance (NMR) spectroscopy. Unambiguous assignments of the bound inhibitor and intermolecular NOEs between the Grb2 SH2 domain and the inhibitor was accomplished using perdeuterated Grb2 SH2 protein. The well-defined solution structure of the complex was obtained and compared to those by X-ray crystallography. Since the crystal structure of the Grb2 SH2 domain formed a domain-swapped dimer and several inhibitors were bound to a hinge region, there were appreciable differences between the solution and crystal structures. Based on the binding interactions between the inhibitor and the Grb2 SH2 domain in solution, we proposed a design of second-generation inhibitors that could be expected to have higher affinity

  7. Ferroelectric properties of sandwich structured (Bi, La)4T3O12/Pb(Zr, Ti)O3/ (Bi, La)4Ti3O12 thin films on Pt/Ti/SiO2/Si substrates

    International Nuclear Information System (INIS)

    Bao Dinghua; Wakiya, Naoki; Shinozaki, Kazuo; Mizutani, Nobuyasu

    2002-01-01

    Sandwich structured (Bi, La) 4 Ti 3 O 12 /Pb(Zr, Ti)O 3 /(Bi, La) 4 Ti 3 O 12 thin films were fabricated on Pt/Ti/SiO 2 /Si substrates, with the intention of simultaneously utilizing the advantages of both (Bi, La) 4 Ti 3 O 12 (BLT) and Pb(Zr, Ti)O 3 (PZT) thin films such as non-fatigue behaviours of BLT and good ferroelectric properties of PZT. Both BLT and PZT layers were prepared by a chemical solution deposition technique. The experiments demonstrated that the sandwich structure showed fatigue-free characteristics at least up to 10 10 switching bipolar pulse cycles under 8 V and excellent retention properties. The sandwich structured thin films also exhibited well-defined hysteresis loops with a remanent polarization (2P r ) of 8.8 μC cm -2 and a coercive field (E c ) of 47 kV cm -1 . The room-temperature dielectric constant and dissipation factor were 210 and 0.031, respectively, at a frequency of 100 kHz. These results suggest that this sandwich structure is a promising material combination for ferroelectric memory applications. (author)

  8. Structure, ferroelectric ordering, and semiempirical quantum calculations of lanthanide based metal-organic framework: [Nd(C4H5O6)(C4H4O6)][3H2O

    Science.gov (United States)

    Ahmad, Bhat Zahoor; Want, Basharat

    2016-04-01

    We investigate the structure and ferroelectric behavior of a lanthanide based metal-organic framework (MOF), [Nd(C4H5O6)(C4H4O6)][3H2O]. X-ray crystal structure analyses reveal that it crystallizes in the P41212 space group with Nd centres, coordinated by nine oxygen atoms, forming a distorted capped square antiprismatic geometry. The molecules, bridged by tartrate ligands, form a 2D chiral structure. The 2D sheets are further linked into a 3D porous framework via strong hydrogen-bonding scheme (O-H…O ≈ 2.113 Å). Dielectric studies reveal two anomalies at 295 K and 185 K. The former is a paraelectric-ferroelectric transition, and the later is attributed to the freezing down of the motion of the hydroxyl groups. The phase transition is of second order, and the spontaneous polarization in low temperature phase is attributed to the ordering of protons of hydroxyl groups. The dielectric nonlinearity parameters have been calculated using Landau- Devonshire phenomenological theory. In addition, the most recent semiempirical models, Sparkle/PM7, Sparkle/RM1, and Sparkle/AM1, are tested on the present system to assay the accuracy of semiempirical quantum approaches to predict the geometries of solid MOFs. Our results show that Sparkle/PM7 model is the most accurate to predict the unit cell structure and coordination polyhedron geometry. The semiempirical methods are also used to calculate different ground state molecular properties.

  9. Structure and Dynamics of the tRNA-like Structure Domain of Brome Mosaic Virus

    Science.gov (United States)

    Vieweger, Mario; Nesbitt, David

    2014-03-01

    Conformational switching is widely accepted as regulatory mechanism in gene expression in bacterial systems. More recently, similar regulation mechanisms are emerging for viral systems. One of the most abundant and best studied systems is the tRNA-like structure domain that is found in a number of plant viruses across eight genera. In this work, the folding dynamics of the tRNA-like structure domain of Brome Mosaic Virus are investigated using single-molecule Fluorescence Resonance Energy Transfer techniques. In particular, Burst fluorescence is applied to observe metal-ion induced folding in freely diffusing RNA constructs resembling the 3'-terminal 169nt of BMV RNA3. Histograms of EFRET probabilities reveal a complex equilibrium of three distinct populations. A step-wise kinetic model for TLS folding is developed in accord with the evolution of conformational populations and structural information in the literature. In this mechanism, formation of functional TLS domains from unfolded RNAs requires two consecutive steps; 1) hybridization of a long-range stem interaction followed by 2) formation of a 3' pseudoknot. This three-state equilibrium is well described by step-wise dissociation constants K1(328(30) μM) and K2(1092(183) μM) for [Mg2+] and K1(74(6) mM) and K2(243(52) mM) for [Na+]-induced folding. The kinetic model is validated by oligo competition with the STEM interaction. Implications of this conformational folding mechanism are discussed in regards to regulation of virus replication.

  10. A structural analysis of the AAA+ domains in Saccharomyces cerevisiae cytoplasmic dynein.

    Science.gov (United States)

    Gleave, Emma S; Schmidt, Helgo; Carter, Andrew P

    2014-06-01

    Dyneins are large protein complexes that act as microtubule based molecular motors. The dynein heavy chain contains a motor domain which is a member of the AAA+ protein family (ATPases Associated with diverse cellular Activities). Proteins of the AAA+ family show a diverse range of functionalities, but share a related core AAA+ domain, which often assembles into hexameric rings. Dynein is unusual because it has all six AAA+ domains linked together, in one long polypeptide. The dynein motor domain generates movement by coupling ATP driven conformational changes in the AAA+ ring to the swing of a motile element called the linker. Dynein binds to its microtubule track via a long antiparallel coiled-coil stalk that emanates from the AAA+ ring. Recently the first high resolution structures of the dynein motor domain were published. Here we provide a detailed structural analysis of the six AAA+ domains using our Saccharomycescerevisiae crystal structure. We describe how structural similarities in the dynein AAA+ domains suggest they share a common evolutionary origin. We analyse how the different AAA+ domains have diverged from each other. We discuss how this is related to the function of dynein as a motor protein and how the AAA+ domains of dynein compare to those of other AAA+ proteins. Copyright © 2014 The Authors. Published by Elsevier Inc. All rights reserved.

  11. Structure of the C-terminal heme-binding domain of THAP domain containing protein 4 from Homo sapiens

    Energy Technology Data Exchange (ETDEWEB)

    Bianchetti, Christopher M.; Bingman, Craig A.; Phillips, Jr., George N. (UW)

    2012-03-15

    The thanatos (the Greek god of death)-associated protein (THAP) domain is a sequence-specific DNA-binding domain that contains a C2-CH (Cys-Xaa{sub 2-4}-Cys-Xaa{sub 35-50}-Cys-Xaa{sub 2}-His) zinc finger that is similar to the DNA domain of the P element transposase from Drosophila. THAP-containing proteins have been observed in the proteome of humans, pigs, cows, chickens, zebrafish, Drosophila, C. elegans, and Xenopus. To date, there are no known THAP domain proteins in plants, yeast, or bacteria. There are 12 identified human THAP domain-containing proteins (THAP0-11). In all human THAP protein, the THAP domain is located at the N-terminus and is {approx}90 residues in length. Although all of the human THAP-containing proteins have a homologous N-terminus, there is extensive variation in both the predicted structure and length of the remaining protein. Even though the exact function of these THAP proteins is not well defined, there is evidence that they play a role in cell proliferation, apoptosis, cell cycle modulation, chromatin modification, and transcriptional regulation. THAP-containing proteins have also been implicated in a number of human disease states including heart disease, neurological defects, and several types of cancers. Human THAP4 is a 577-residue protein of unknown function that is proposed to bind DNA in a sequence-specific manner similar to THAP1 and has been found to be upregulated in response to heat shock. THAP4 is expressed in a relatively uniform manner in a broad range of tissues and appears to be upregulated in lymphoma cells and highly expressed in heart cells. The C-terminal domain of THAP4 (residues 415-577), designated here as cTHAP4, is evolutionarily conserved and is observed in all known THAP4 orthologs. Several single-domain proteins lacking a THAP domain are found in plants and bacteria and show significant levels of homology to cTHAP4. It appears that cTHAP4 belongs to a large class of proteins that have yet to be fully

  12. Nanoscale organic ferroelectric resistive switches

    NARCIS (Netherlands)

    Khikhlovskyi, V.; Wang, R.; Breemen, A.J.J.M. van; Gelinck, G.H.; Janssen, R.A.J.; Kemerink, M.

    2014-01-01

    Organic ferroelectric resistive switches function by grace of nanoscale phase separation in a blend of a semiconducting and a ferroelectric polymer that is sandwiched between metallic electrodes. In this work, various scanning probe techniques are combined with numerical modeling to unravel their

  13. Second harmonic generation in generalized Thue-Morse ferroelectric superlattices

    International Nuclear Information System (INIS)

    Wang Longxiang; Yang Xiangbo; Chen Tongsheng

    2009-01-01

    In this paper the second harmonic generation (SHG) in generalized Thue-Morse (GTM(m, n)) ferroelectric superlattices is studied. Under the small-signal approximation, the SHG spectra in both real and reciprocal spaces are investigated. It is found that: (1) only when the structure parameters l, l A , and l B are all chosen to be proper, can SHG in GTM(m, n) ferroelectric superlattices be generated; (2) for Family A of generalized Thue-Morse, GTM(m, 1) ferroelectric systems, with the increase of parameter m, the intense peaks of SHG concentrate on the long wavelength 1.4-1.5μm (the fundamental beam (FB) wavelength is within 0.8-1.5μm), but for Family B of generalized Thue-Morse, GTM(1, n) ferroelectric superlattices, with the increase of parameter n, the intense peaks of SHG concentrate on the middle wavelength 1.1-1.2μm; and (3) for GTM(m, 1) ferroelectric superlattices, the bigger the m, the stronger the relative integral intensity (RII) of SHG would be, but for GTM(1, n) ferroelectric systems, the bigger the n, the weaker the RII of SHG would be.

  14. Hierarchical domain structure of lead-free piezoelectric (Na{sub 1/2} Bi{sub 1/2})TiO{sub 3}-(K{sub 1/2} Bi{sub 1/2})TiO{sub 3} single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Luo, Chengtao, E-mail: lchentao@vt.edu; Wang, Yaojin; Ge, Wenwei; Li, Jiefang; Viehland, Dwight [Materials Science and Engineering, Virginia Tech, Blacksburg, Virginia 24061 (United States); Delaire, Olivier [Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States); Li, Xiaobin; Luo, Haosu [Shanghai Institute of Ceramics, Chinese Academy of Sciences, 215 Chengbei Road, Jiading, Shanghai 201800 (China)

    2016-05-07

    We report a unique hierarchical domain structure in single crystals of (Na{sub 1/2}Bi{sub 1/2})TiO{sub 3}-xat. %(K{sub 1/2}Bi{sub 1/2})TiO{sub 3} for x = 5 and 8 by transmission electron microscopy (TEM). A high density of polar nano-domains with a lamellar morphology was found, which were self-assembled into a quadrant-like configuration, which then assembled into conventional ferroelectric macro-domains. Studies by high resolution TEM revealed that the polar lamellar regions contained a coexistence of in-phase and anti-phase oxygen octahedral tilt regions of a few nanometers in size. Domain frustration over multiple length scales may play an important role in the stabilization of the hierarchy, and in reducing the piezoelectric response of this Pb-free piezoelectric solid solution.

  15. Structure of Concatenated HAMP Domains Provides a Mechanism for Signal Transduction

    Energy Technology Data Exchange (ETDEWEB)

    Airola, Michael V.; Watts, Kylie J.; Bilwes, Alexandrine M.; Crane, Brian R. (Cornell); (Lorma Linda U)

    2010-08-23

    HAMP domains are widespread prokaryotic signaling modules found as single domains or poly-HAMP chains in both transmembrane and soluble proteins. The crystal structure of a three-unit poly-HAMP chain from the Pseudomonas aeruginosa soluble receptor Aer2 defines a universal parallel four-helix bundle architecture for diverse HAMP domains. Two contiguous domains integrate to form a concatenated di-HAMP structure. The three HAMP domains display two distinct conformations that differ by changes in helical register, crossing angle, and rotation. These conformations are stabilized by different subsets of conserved residues. Known signals delivered to HAMP would be expected to switch the relative stability of the two conformations and the position of a coiled-coil phase stutter at the junction with downstream helices. We propose that the two conformations represent opposing HAMP signaling states and suggest a signaling mechanism whereby HAMP domains interconvert between the two states, which alternate down a poly-HAMP chain.

  16. C-terminal domains of bacterial proteases: structure, function and the biotechnological applications.

    Science.gov (United States)

    Huang, J; Wu, C; Liu, D; Yang, X; Wu, R; Zhang, J; Ma, C; He, H

    2017-01-01

    C-terminal domains widely exist in the C-terminal region of multidomain proteases. As a β-sandwich domain in multidomain protease, the C-terminal domain plays an important role in proteolysis including regulation of the secretory process, anchoring and swelling the substrate molecule, presenting as an inhibitor for the preprotease and adapting the protein structural flexibility and stability. In this review, the diversity, structural characteristics and biological function of C-terminal protease domains are described. Furthermore, the application prospects of C-terminal domains, including polycystic kidney disease, prepeptidase C-terminal and collagen-binding domain, in the area of medicine and biological artificial materials are also discussed. © 2016 The Society for Applied Microbiology.

  17. AB initio energetics of lanthanum substitution in ferroelectric bismuth titanate

    International Nuclear Information System (INIS)

    Shah, S.H.

    2012-01-01

    Density functional theory based electronic structure calculations play a vital role in understanding, controlling and optimizing physical properties of materials at microscopic level. In present study system of interest is bismuth titanate (Bi/sub 4/Ti/sub 3/O/sub 12/)/(BIT) which has wide range of applications such as a high temperature piezoelectric and one of the best material for memory devices. However, it also suffers from serious issues such as oxygen vacancies which degrade its performance as a memory element and piezoelectric material. In this context, the bulk and defect properties of orthorhombic bismuth titanate (Bi/sub 4/Ti/sub 3/O/sub 12/) and bismuth lanthanum titanate (Bi/sub 3.25/La/sub 0.75/Ti/sub 3/O/sub 12/)/(BLT, x=0.75) were investigated by using first principles calculations and atomistic thermodynamics. Heats of formation, valid chemical conditions for synthesis, lanthanum substitution energies and oxygen and bismuth vacancy formation energies were computed. The study improves understanding of how native point defects and substitutional impurities influence the ferroelectric properties of these layered perovskite materials. It was found that lanthanum incorporation could occur on either of the two distinct bismuth sites in the structure and that the effect of substitution is to increase the formation energy of nearby native oxygen vacancies. The results provide direct atomistic evidence over a range of chemical conditions for the suggestion that lanthanum incorporation reduces the oxygen vacancy concentration. Oxygen vacancies contribute to ferroelectric fatigue by interacting strongly with domain walls and therefore a decrease in their concentration is beneficial. (orig./A.B.)

  18. Ferroelectric polymer gates for non-volatile field effect control of ferromagnetism in (Ga, Mn)As layers

    International Nuclear Information System (INIS)

    Stolichnov, I; Riester, S W E; Mikheev, E; Setter, N; Rushforth, A W; Edmonds, K W; Campion, R P; Foxon, C T; Gallagher, B L; Jungwirth, T; Trodahl, H J

    2011-01-01

    (Ga, Mn)As and other diluted magnetic semiconductors (DMS) attract a great deal of attention for potential spintronic applications because of the possibility of controlling the magnetic properties via electrical gating. Integration of a ferroelectric gate on the DMS channel adds to the system a non-volatile memory functionality and permits nanopatterning via the polarization domain engineering. This topical review is focused on the multiferroic system, where the ferromagnetism in the (Ga, Mn)As DMS channel is controlled by the non-volatile field effect of the spontaneous polarization. Use of ferroelectric polymer gates in such heterostructures offers a viable alternative to the traditional oxide ferroelectrics generally incompatible with DMS. Here we review the proof-of-concept experiments demonstrating the ferroelectric control of ferromagnetism, analyze the performance issues of the ferroelectric gates and discuss prospects for further development of the ferroelectric/DMS heterostructures toward the multiferroic field effect transistor. (topical review)

  19. Structural-Functional Analysis Reveals a Specific Domain Organization in Family GH20 Hexosaminidases.

    Science.gov (United States)

    Val-Cid, Cristina; Biarnés, Xevi; Faijes, Magda; Planas, Antoni

    2015-01-01

    Hexosaminidases are involved in important biological processes catalyzing the hydrolysis of N-acetyl-hexosaminyl residues in glycosaminoglycans and glycoconjugates. The GH20 enzymes present diverse domain organizations for which we propose two minimal model architectures: Model A containing at least a non-catalytic GH20b domain and the catalytic one (GH20) always accompanied with an extra α-helix (GH20b-GH20-α), and Model B with only the catalytic GH20 domain. The large Bifidobacterium bifidum lacto-N-biosidase was used as a model protein to evaluate the minimal functional unit due to its interest and structural complexity. By expressing different truncated forms of this enzyme, we show that Model A architectures cannot be reduced to Model B. In particular, there are two structural requirements general to GH20 enzymes with Model A architecture. First, the non-catalytic domain GH20b at the N-terminus of the catalytic GH20 domain is required for expression and seems to stabilize it. Second, the substrate-binding cavity at the GH20 domain always involves a remote element provided by a long loop from the catalytic domain itself or, when this loop is short, by an element from another domain of the multidomain structure or from the dimeric partner. Particularly, the lacto-N-biosidase requires GH20b and the lectin-like domain at the N- and C-termini of the catalytic GH20 domain to be fully soluble and functional. The lectin domain provides this remote element to the active site. We demonstrate restoration of activity of the inactive GH20b-GH20-α construct (model A architecture) by a complementation assay with the lectin-like domain. The engineering of minimal functional units of multidomain GH20 enzymes must consider these structural requirements.

  20. Magnetic domain structure and domain-wall energy in UFe8Ni2Si2 and UFe6Ni4Si2 intermetallic compounds

    International Nuclear Information System (INIS)

    Wyslocki, J.J.; Suski, W.; Wochowski, K.

    1994-01-01

    Magnetic domain structures in the UFe 8 Ni 2 Si 2 and UFe 6 Ni 4 Si 2 compounds were studied using the powder pattern method. The domain structure observed is typical for uniaxial materials. The domain-wall energy density γ was determined from the average surface domain width D s observed on surfaces perpendicular to the easy axis as equal to 16 erg/cm 2 for UFe 8 Ni 2 Si 2 and 10 erg/cm 2 for UFe 6 Ni 4 Si 2 . Moreover, the critical diameter for single domain particle D c was calculated for the studied compounds

  1. Effect of substrate temperature in the structural, optical and ferroelectric properties of thin films of BaTiO{sub 3} deposited by RF sputtering; Efecto de la temperatura de substrato en las propiedades estructurales, opticas y ferroelectricas de peliculas delgadas de BaTiO{sub 3} depositadas por RF sputtering

    Energy Technology Data Exchange (ETDEWEB)

    Marquez H, A. [Universidad Autonoma de San Luis Potosi, Coordinacion Academica Region Altiplano, Carretera a Cedral Km. 5 -600, Matehuala, 78800 San Luis Potosi (Mexico); Hernandez R, E.; Zapata T, M. [IPN, Centro de Investigacion en Ciencia Aplicada y Tecnologia Avanzada, Unidad Legaria, Calz. Legaria 694, Col. Irrigacion, 11500 Mexico D. F. (Mexico); Calzadilla A, O. [Universidad de la Habana, Facultad de Fisica-IMRE, San Lazaro y L. Municipio Plaza de la Revolucion, La Habana (Cuba); Melendez L, M. [IPN, Centro de Investigacion y de Estudios Avanzados, Departamento de Fisica, Apdo. Postal 14-740, 07000 Mexico D. F. (Mexico)

    2012-07-01

    Thin films of Barium Titanate (BaTiO{sub 3}) were grown on nichrome and quartz substrates, using a BaTiO{sub 3} target, by RF sputtering technique. We varied the substrate temperature in order to study its effect on the structural, optical and ferroelectric properties of the samples. The results of the X-ray diffraction showed tetragonal structure with increases of the crystallinity as increases the substrate temperature. Furthermore, it observed by ultraviolet-visible spectroscopy that the band gap decreased as the substrate temperature increases showing abrupt sharp decrease at 494.8{sup o} C. The ferroelectric properties of the films showed a dependence with substrate temperature, the best ferroelectric answer was obtained at 494.8{sup o} C. (Author)

  2. Structural basis of antifreeze activity of a bacterial multi-domain antifreeze protein.

    Directory of Open Access Journals (Sweden)

    Chen Wang

    Full Text Available Antifreeze proteins (AFPs enhance the survival of organisms inhabiting cold environments by affecting the formation and/or structure of ice. We report the crystal structure of the first multi-domain AFP that has been characterized. The two ice binding domains are structurally similar. Each consists of an irregular β-helix with a triangular cross-section and a long α-helix that runs parallel on one side of the β-helix. Both domains are stabilized by hydrophobic interactions. A flat plane on the same face of each domain's β-helix was identified as the ice binding site. Mutating any of the smaller residues on the ice binding site to bulkier ones decreased the antifreeze activity. The bulky side chain of Leu174 in domain A sterically hinders the binding of water molecules to the protein backbone, partially explaining why antifreeze activity by domain A is inferior to that of domain B. Our data provide a molecular basis for understanding differences in antifreeze activity between the two domains of this protein and general insight on how structural differences in the ice-binding sites affect the activity of AFPs.

  3. A structural role for the PHP domain in E. coli DNA polymerase III.

    Science.gov (United States)

    Barros, Tiago; Guenther, Joel; Kelch, Brian; Anaya, Jordan; Prabhakar, Arjun; O'Donnell, Mike; Kuriyan, John; Lamers, Meindert H

    2013-05-14

    In addition to the core catalytic machinery, bacterial replicative DNA polymerases contain a Polymerase and Histidinol Phosphatase (PHP) domain whose function is not entirely understood. The PHP domains of some bacterial replicases are active metal-dependent nucleases that may play a role in proofreading. In E. coli DNA polymerase III, however, the PHP domain has lost several metal-coordinating residues and is likely to be catalytically inactive. Genomic searches show that the loss of metal-coordinating residues in polymerase PHP domains is likely to have coevolved with the presence of a separate proofreading exonuclease that works with the polymerase. Although the E. coli Pol III PHP domain has lost metal-coordinating residues, the structure of the domain has been conserved to a remarkable degree when compared to that of metal-binding PHP domains. This is demonstrated by our ability to restore metal binding with only three point mutations, as confirmed by the metal-bound crystal structure of this mutant determined at 2.9 Å resolution. We also show that Pol III, a large multi-domain protein, unfolds cooperatively and that mutations in the degenerate metal-binding site of the PHP domain decrease the overall stability of Pol III and reduce its activity. While the presence of a PHP domain in replicative bacterial polymerases is strictly conserved, its ability to coordinate metals and to perform proofreading exonuclease activity is not, suggesting additional non-enzymatic roles for the domain. Our results show that the PHP domain is a major structural element in Pol III and its integrity modulates both the stability and activity of the polymerase.

  4. Terahertz Time Domain Spectroscopy for Structure-II Gas Hydrates

    DEFF Research Database (Denmark)

    Takeya, Kei; Zhang, Caihong; Kawayama, Iwao

    2009-01-01

    For the nondestructive inspection of gas hydrates, terahertz (THz) time-domain spectroscopy (TDS) was applied to tetrahydrofuran (THF) hydrate and propane hydrate. The absorption of propane hydrate monotonically increases with frequency, similar to the case of ice, while THF hydrate has...... a characteristic broad absorption peak at 0.5 THz corresponding to the dipole moment of THF molecules. The refractive indices of THF and propane hydrates are 1.725 and 1.775 at 1 THz, respectively, and show a slight but clear difference from the refractive index of ice (1.79). THz-TDS is a potentially useful...... technique for the ondestructive inspection of gas hydrates. # 2009 The Japan Society of Applied Physics...

  5. Structure discrimination for the C-terminal domain of Escherichia coli trigger factor in solution

    International Nuclear Information System (INIS)

    Yao Yong; Bhabha, Gira; Kroon, Gerard; Landes, Mindy; Dyson, H. Jane

    2008-01-01

    NMR measurements can give important information on solution structure, without the necessity for a full-scale solution structure determination. The C-terminal protein binding domain of the ribosome-associated chaperone protein trigger factor is composed of non-contiguous parts of the polypeptide chain, with an interpolated prolyl isomerase domain. A construct of the C-terminal domain of Escherichia coli trigger factor containing residues 113-149 and 247-432, joined by a Gly-Ser-Gly-Ser linker, is well folded and gives excellent NMR spectra in solution. We have used NMR measurements on this construct, and on a longer construct that includes the prolyl isomerase domain, to distinguish between two possible structures for the C-terminal domain of trigger factor, and to assess the behavior of the trigger factor C-terminal domain in solution. Two X-ray crystal structures, of intact trigger factor from E. coli (Ferbitz et al., Nature 431:590-596, 2004), and of a truncated trigger factor from Vibrio cholerae (Ludlam et al., Proc Natl Acad Sci USA 101:13436-13441, 2004) showed significant differences in the structure of the C-terminal domain, such that the two structures could not be superimposed. We show using NMR chemical shifts and long range nuclear Overhauser effects that the secondary and tertiary structure of the E. coli C-terminal domain in solution is consistent with the crystal structure of the E. coli trigger factor and not with the V. cholerae protein. Given the similarity of the amino acid sequences of the E. coli and V. cholerae proteins, it appears likely that the structure of the V. cholerae protein has been distorted as a result of truncation of a 44-amino acid segment at the C-terminus. Analysis of residual dipolar coupling measurements shows that the overall topology of the solution structure is completely inconsistent with both structures. Dynamics analysis of the C-terminal domain using T 1 , T 2 and heteronuclear NOE parameters show that the protein is

  6. Conduction at domain walls in oxide multiferroics

    Science.gov (United States)

    Seidel, J.; Martin, L. W.; He, Q.; Zhan, Q.; Chu, Y.-H.; Rother, A.; Hawkridge, M. E.; Maksymovych, P.; Yu, P.; Gajek, M.; Balke, N.; Kalinin, S. V.; Gemming, S.; Wang, F.; Catalan, G.; Scott, J. F.; Spaldin, N. A.; Orenstein, J.; Ramesh, R.

    2009-03-01

    Domain walls may play an important role in future electronic devices, given their small size as well as the fact that their location can be controlled. Here, we report the observation of room-temperature electronic conductivity at ferroelectric domain walls in the insulating multiferroic BiFeO3. The origin and nature of the observed conductivity are probed using a combination of conductive atomic force microscopy, high-resolution transmission electron microscopy and first-principles density functional computations. Our analyses indicate that the conductivity correlates with structurally driven changes in both the electrostatic potential and the local electronic structure, which shows a decrease in the bandgap at the domain wall. Additionally, we demonstrate the potential for device applications of such conducting nanoscale features.

  7. Structure and function of the TIR domain from the grape NLR protein RPV1

    Directory of Open Access Journals (Sweden)

    Simon John Williams

    2016-12-01

    Full Text Available The N-terminal Toll/interleukin-1 receptor/resistance protein (TIR domain has been shown to be both necessary and sufficient for defence signalling in the model plants flax and Arabidopsis. In examples from these organisms, TIR domain self-association is required for signalling function, albeit through distinct interfaces. Here, we investigate these properties in the TIR domain containing resistance protein RPV1 from the wild grapevine Muscadinia rotundifolia. The RPV1 TIR domain, without additional flanking sequence present, is autoactive when transiently expressed in tobacco, demonstrating that the TIR domain alone is capable of cell-death signalling. We determined the crystal structure of the RPV1 TIR domain at 2.3 Å resolution. In the crystals, the RPV1 TIR domain forms a dimer, mediated predominantly through residues in the αA and αE helices (AE interface. This interface is shared with the interface discovered in the dimeric complex of the TIR domains from the Arabidopsis RPS4/RRS1 resistance protein pair. We show that surface-exposed residues in the AE interface that mediate the dimer interaction in the crystals are highly conserved among plant TIR domain-containing proteins. While we were unable to demonstrate self-association of the RPV1 TIR domain in solution or using yeast 2-hybrid, mutations of surface-exposed residues in the AE interface prevent the cell-death autoactive phenotype. In addition, mutation of residues known to be important in the cell-death signalling function of the flax L6 TIR domain were also shown to be required for RPV1 TIR domain mediated cell-death. Our data demonstrate that multiple TIR domain surfaces control the cell-death function of the RPV1 TIR domain and we suggest that the conserved AE interface may have a general function in TIR-NLR signalling.

  8. Structure of the GH1 domain of guanylate kinase-associated protein from Rattus norvegicus

    International Nuclear Information System (INIS)

    Tong, Junsen; Yang, Huiseon; Eom, Soo Hyun; Chun, ChangJu; Im, Young Jun

    2014-01-01

    Graphical abstract: - Highlights: • The crystal structure of GKAP homology domain 1 (GH1) was determined. • GKAP GH1 is a three-helix bundle connected by short flexible loops. • The predicted helix α4 associates weakly with the helix α3, suggesting dynamic nature of the GH1 domain. - Abstract: Guanylate-kinase-associated protein (GKAP) is a scaffolding protein that links NMDA receptor-PSD-95 to Shank–Homer complexes by protein–protein interactions at the synaptic junction. GKAP family proteins are characterized by the presence of a C-terminal conserved GKAP homology domain 1 (GH1) of unknown structure and function. In this study, crystal structure of the GH1 domain of GKAP from Rattus norvegicus was determined in fusion with an N-terminal maltose-binding protein at 2.0 Å resolution. The structure of GKAP GH1 displays a three-helix bundle connected by short flexible loops. The predicted helix α4 which was not visible in the crystal structure associates weakly with the helix α3 suggesting dynamic nature of the GH1 domain. The strict conservation of GH1 domain across GKAP family members and the lack of a catalytic active site required for enzyme activity imply that the GH1 domain might serve as a protein–protein interaction module for the synaptic protein clustering

  9. Structure of the GH1 domain of guanylate kinase-associated protein from Rattus norvegicus

    Energy Technology Data Exchange (ETDEWEB)

    Tong, Junsen; Yang, Huiseon [College of Pharmacy, Chonnam National University, Gwangju 500-757 (Korea, Republic of); Eom, Soo Hyun [School of Life Sciences, Steitz Center for Structural Biology, and Department of Chemistry, Gwangju Institute of Science and Technology, Gwangju 500-712 (Korea, Republic of); Chun, ChangJu, E-mail: cchun1130@jnu.ac.kr [College of Pharmacy, Chonnam National University, Gwangju 500-757 (Korea, Republic of); Im, Young Jun, E-mail: imyoungjun@jnu.ac.kr [College of Pharmacy, Chonnam National University, Gwangju 500-757 (Korea, Republic of)

    2014-09-12

    Graphical abstract: - Highlights: • The crystal structure of GKAP homology domain 1 (GH1) was determined. • GKAP GH1 is a three-helix bundle connected by short flexible loops. • The predicted helix α4 associates weakly with the helix α3, suggesting dynamic nature of the GH1 domain. - Abstract: Guanylate-kinase-associated protein (GKAP) is a scaffolding protein that links NMDA receptor-PSD-95 to Shank–Homer complexes by protein–protein interactions at the synaptic junction. GKAP family proteins are characterized by the presence of a C-terminal conserved GKAP homology domain 1 (GH1) of unknown structure and function. In this study, crystal structure of the GH1 domain of GKAP from Rattus norvegicus was determined in fusion with an N-terminal maltose-binding protein at 2.0 Å resolution. The structure of GKAP GH1 displays a three-helix bundle connected by short flexible loops. The predicted helix α4 which was not visible in the crystal structure associates weakly with the helix α3 suggesting dynamic nature of the GH1 domain. The strict conservation of GH1 domain across GKAP family members and the lack of a catalytic active site required for enzyme activity imply that the GH1 domain might serve as a protein–protein interaction module for the synaptic protein clustering.

  10. Wake force computation in the time domain for long structures

    International Nuclear Information System (INIS)

    Bane, K.; Weiland, T.

    1983-07-01

    One is often interested in calculating the wake potentials for short bunches in long structures using TBCI. For ultra-relativistic particles it is sufficient to solve for the fields only over a window containing the bunch and moving along with it. This technique reduces both the memory and the running time required by a factor that equals the ratio of the structure length to the window length. For example, for a bunch with sigma/sub z/ of one picosecond traversing a single SLAC cell this improvement factor is 15. It is thus possible to solve for the wakefields in very long structures: for a given problem, increasing the structure length will not change the memory required while only adding linearly to the CPU time needed

  11. The structure of the nucleoprotein binding domain of lyssavirus phosphoprotein reveals a structural relationship between the N-RNA binding domains of Rhabdoviridae and Paramyxoviridae.

    Science.gov (United States)

    Delmas, Olivier; Assenberg, Rene; Grimes, Jonathan M; Bourhy, Hervé

    2010-01-01

    The phosphoprotein P of non-segmented negative-sense RNA viruses is an essential component of the replication and transcription complex and acts as a co-factor for the viral RNA-dependent RNA polymerase. P recruits the viral polymerase to the nucleoprotein-bound viral RNA (N-RNA) via an interaction between its C-terminal domain and the N-RNA complex. We have obtained the structure of the C-terminal domain of P of Mokola virus (MOKV), a lyssavirus that belongs to the Rhabdoviridae family and mapped at the amino acid level the crucial positions involved in interaction with N and in the formation of the viral replication complex. Comparison of the N-RNA binding domains of P solved to date suggests that the N-RNA binding domains are structurally conserved among paramyxoviruses and rhabdoviruses in spite of low sequence conservation. We also review the numerous other functions of this domain and more generally of the phosphoprotein.

  12. Spin-driven ferroelectricity and magneto-electric effects in frustrated magnetic systems

    International Nuclear Information System (INIS)

    Arima, Taka-hisa

    2011-01-01

    The interplay between magnetism and electricity in matter has become a central issue of condensed-matter physics. This review focuses on the ferroelectricity induced by magnetic order mostly in frustrated magnets, which is nowadays referred to as magneto-electric (ME) multiferroic, or often only as multiferroic. Some distinct types of microscopic origins relevant to the spin-driven ferroelectricity are discussed in detail. Then one sees that the frustration-based spin-driven ferroelectrics can exhibit nonlinear and giant ME responses of phase-transition type and of domain-control type, in contrast to the conventional magnetoelectrics hosting linear ME effects. (author)

  13. Structural Studies of the SET Domain from RIZ1 Tumor Suppressor

    Energy Technology Data Exchange (ETDEWEB)

    Briknarova, Klara; Zhou, Xinliang; Satterthwait, Arnold C.; Hoyt, David W.; Ely, Kathryn R.; Huang, Shi

    2008-02-15

    Histone lysine methyltransferases (HKMTs) are involved in regulation of chromatin structure, and, as such, are important for longterm gene activation and repression that is associated with cell memory and establishment of cell-type specific transcriptional programs. Most HKMTs contain a SET domain, which is responsible for their catalytic activity. RIZ1 is a transcription regulator and tumor suppressor that catalyzes methylation of lysine 9 of histone H3 and contains a rather distinct SET domain. Similar SET domains, sometimes refererred to as PR (PRDI-BF1 and RIZ1 homology) domains, are also found in other proteins including Blimp-1/PRDI-BF1, MDS1-EVI1 and Meisetz. We determined the solution structure of the PR domain from RIZ1 and characterized its interaction with S-adenosyl homocysteine (SAH) and a peptide from histone H3. Despite low sequence identity with canonical SET domains, the PR domain displays a typical SET fold including a pseudo-knot at the C-terminus. The N-flanking sequence of RIZ1 PR domain adopts a novel conformation and interacts closely with the SET fold. The C-flanking sequence contains an α-helix that exhibits higher mobility than the SET fold and points away from the protein face that harbors active site in other SET domains. Residues that interact with the methylation cofactor in SET domains are not conserved in RIZ1 or other PR domains, and the SET fold of RIZ1 does not bind SAH. However, the PR domain of RIZ1 interacts specifically with a synthetic peptide comprising residues 1-20 of histone H3.

  14. Fast Ferroelectric L-Band Tuner for Superconducting Cavities

    Energy Technology Data Exchange (ETDEWEB)

    Jay L. Hirshfield

    2011-03-01

    Analysis and modeling is presented for a fast microwave tuner to operate at 700 MHz which incorporates ferroelectric elements whose dielectric permittivity can be rapidly altered by application of an external voltage. This tuner could be used to correct unavoidable fluctuations in the resonant frequency of superconducting cavities in accelerator structures, thereby greatly reducing the RF power needed to drive the cavities. A planar test version of the tuner has been tested at low levels of RF power, but at 1300 MHz to minimize the physical size of the test structure. This test version comprises one-third of the final version. The tests show performance in good agreement with simulations, but with losses in the ferroelectric elements that are too large for practical use, and with issues in bonding of ferroelectric elements to the metal walls of the tuner structure.

  15. Fast Ferroelectric L-Band Tuner for Superconducting Cavities

    International Nuclear Information System (INIS)

    Hirshfield, Jay L.

    2011-01-01

    Analysis and modeling is presented for a fast microwave tuner to operate at 700 MHz which incorporates ferroelectric elements whose dielectric permittivity can be rapidly altered by application of an external voltage. This tuner could be used to correct unavoidable fluctuations in the resonant frequency of superconducting cavities in accelerator structures, thereby greatly reducing the RF power needed to drive the cavities. A planar test version of the tuner has been tested at low levels of RF power, but at 1300 MHz to minimize the physical size of the test structure. This test version comprises one-third of the final version. The tests show performance in good agreement with simulations, but with losses in the ferroelectric elements that are too large for practical use, and with issues in bonding of ferroelectric elements to the metal walls of the tuner structure.

  16. Full-length RNA structure prediction of the HIV-1 genome reveals a conserved core domain

    DEFF Research Database (Denmark)

    Sükösd, Zsuzsanna; Andersen, Ebbe Sloth; Seemann, Ernst Stefan

    2015-01-01

    of the HIV-1 genome is highly variable in most regions, with a limited number of stable and conserved RNA secondary structures. Most interesting, a set of long distance interactions form a core organizing structure (COS) that organize the genome into three major structural domains. Despite overlapping...

  17. Solution structure of the dimeric cytoplasmic domain of syndecan-4

    DEFF Research Database (Denmark)

    Shin, J; Lee, W; Lee, D

    2001-01-01

    The syndecans, transmembrane proteoglycans which are involved in the organization of cytoskeleton and/or actin microfilaments, have important roles as cell surface receptors during cell-cell and/or cell-matrix interactions. Since previous studies indicate that the function of the syndecan-4...... between peptides at physiological pH. Commensurately, the NMR structures demonstrate that syndecan-4L is a compact intertwined dimer with a symmetric clamp shape in the central variable V region with a root-mean-square deviation between backbone atom coordinates of 0.95 A for residues Leu(186)-Ala(195...... in the center of the dimeric twist similar to our previously reported 4V structure. The overall topology of the central variable region within the 4L structure is very similar to that of 4V complexed with the phosphatidylinositol 4,5-bisphosphate; however, the intersubunit interaction mode is affected...

  18. Changing the cubic ferrimagnetic domain structure in temperature region of spin flip transition

    International Nuclear Information System (INIS)

    Djuraev, D.R.; Niyazov, L.N.; Saidov, K.S.; Sokolov, B.Yu.

    2011-01-01

    The transformation of cubic ferrimagnetic Tb 0.2 Y 2.8 Fe 5 O 12 domain structure has been studied by magneto optic method in the temperature region of spontaneous spin flip phase transition (SPT). It has been found that SPT occurs in a finite temperature interval where the coexistence of low- and high- temperature magnetic phase domains has observed. A character of domain structure evolution in temperature region of spin flip essentially depends on the presence of mechanical stresses in crystal. Interpretation of experimental results has been carried out within the framework of SPT theory for a cubic crystal. (authors)

  19. A model for the magnetic domain structure of Gd at 77K

    International Nuclear Information System (INIS)

    Corner, W.D.; Saad, F.M.; Jones, D.W.; Jordan, R.G.

    1978-01-01

    Magnetic domain structures have been observed on planes perpendicular to the c and b axes of Gd crystals at 77K. Various types of domain boundary which might be found in an easy-cone ferromagnet are discussed. A model is presented which is consistent with observations. In this the easy-cone structure is maintained, but it is assumed that owing to the lower basal-plane anisotropy the magnetization component in the basal plane may change in direction within a single domain. (author)

  20. Structure of Pseudoknot PK26 Shows 3D Domain Swapping in an RNA

    Science.gov (United States)

    Lietzke, Susan E; Barnes, Cindy L.

    1998-01-01

    3D domain swapping provides a facile pathway for the evolution of oligomeric proteins and allosteric mechanisms and a means for using monomer-oligomer equilibria to regulate biological activity. The term "3D domain swapping" describes the exchange of identical domains between two protein monomers to create an oligomer. 3D domain swapping has, so far, only been recognized in proteins. In this study, the structure of the pseudoknot PK26 is reported and it is a clear example of 3D domain swapping in RNA. PK26 was chosen for study because RNA pseudoknots are required structures in several biological processes and they arise frequently in in vitro selection experiments directed against protein targets. PK26 specifically inhibits HIV-1 reverse transcriptase with nanomolar affinity. We have now determined the 3.1 A resolution crystal structure of PK26 and find that it forms a 3D domain swapped dimer. PK26 shows extensive base pairing between and within strands. Formation of the dimer requires the linker region between the pseudoknot folds to adopt a unique conformation that allows a base within a helical stem to skip one base in the stacking register. Rearrangement of the linker would permit a monomeric pseudoknot to form. This structure shows how RNA can use 3D domain swapping to build large scale oligomers like the putative hexamer in the packaging RNA of bacteriophage Phi29.

  1. Confirming the Revised C-Terminal Domain of the MscL Crystal Structure

    OpenAIRE

    Maurer, Joshua A.; Elmore, Donald E.; Clayton, Daniel; Xiong, Li; Lester, Henry A.; Dougherty, Dennis A.

    2008-01-01

    The structure of the C-terminal domain of the mechanosensitive channel of large conductance (MscL) has generated significant controversy. As a result, several structures have been proposed for this region: the original crystal structure (1MSL) of the Mycobacterium tuberculosis homolog (Tb), a model of the Escherichia coli homolog, and, most recently, a revised crystal structure of Tb-MscL (2OAR). To understand which of these structures represents a physiological conformation, we measured the ...

  2. A New Method for Determining Structure Ensemble: Application to a RNA Binding Di-Domain Protein.

    Science.gov (United States)

    Liu, Wei; Zhang, Jingfeng; Fan, Jing-Song; Tria, Giancarlo; Grüber, Gerhard; Yang, Daiwen

    2016-05-10

    Structure ensemble determination is the basis of understanding the structure-function relationship of a multidomain protein with weak domain-domain interactions. Paramagnetic relaxation enhancement has been proven a powerful tool in the study of structure ensembles, but there exist a number of challenges such as spin-label flexibility, domain dynamics, and overfitting. Here we propose a new (to our knowledge) method to describe structure ensembles using a minimal number of conformers. In this method, individual domains are considered rigid; the position of each spin-label conformer and the structure of each protein conformer are defined by three and six orthogonal parameters, respectively. First, the spin-label ensemble is determined by optimizing the positions and populations of spin-label conformers against intradomain paramagnetic relaxation enhancements with a genetic algorithm. Subsequently, the protein structure ensemble is optimized using a more efficient genetic algorithm-based approach and an overfitting indicator, both of which were established in this work. The method was validated using a reference ensemble with a set of conformers whose populations and structures are known. This method was also applied to study the structure ensemble of the tandem di-domain of a poly (U) binding protein. The determined ensemble was supported by small-angle x-ray scattering and nuclear magnetic resonance relaxation data. The ensemble obtained suggests an induced fit mechanism for recognition of target RNA by the protein. Copyright © 2016 Biophysical Society. Published by Elsevier Inc. All rights reserved.

  3. Structure of the C-terminal domain of lettuce necrotic yellows virus phosphoprotein.

    Science.gov (United States)

    Martinez, Nicolas; Ribeiro, Euripedes A; Leyrat, Cédric; Tarbouriech, Nicolas; Ruigrok, Rob W H; Jamin, Marc

    2013-09-01

    Lettuce necrotic yellows virus (LNYV) is a prototype of the plant-adapted cytorhabdoviruses. Through a meta-prediction of disorder, we localized a folded C-terminal domain in the amino acid sequence of its phosphoprotein. This domain consists of an autonomous folding unit that is monomeric in solution. Its structure, solved by X-ray crystallography, reveals a lollipop-shaped structure comprising five helices. The structure is different from that of the corresponding domains of other Rhabdoviridae, Filoviridae, and Paramyxovirinae; only the overall topology of the polypeptide chain seems to be conserved, suggesting that this domain evolved under weak selective pressure and varied in size by the acquisition or loss of functional modules.

  4. Structure of the C-Terminal Domain of Lettuce Necrotic Yellows Virus Phosphoprotein

    Science.gov (United States)

    Martinez, Nicolas; Ribeiro, Euripedes A.; Leyrat, Cédric; Tarbouriech, Nicolas; Ruigrok, Rob W. H.

    2013-01-01

    Lettuce necrotic yellows virus (LNYV) is a prototype of the plant-adapted cytorhabdoviruses. Through a meta-prediction of disorder, we localized a folded C-terminal domain in the amino acid sequence of its phosphoprotein. This domain consists of an autonomous folding unit that is monomeric in solution. Its structure, solved by X-ray crystallography, reveals a lollipop-shaped structure comprising five helices. The structure is different from that of the corresponding domains of other Rhabdoviridae, Filoviridae, and Paramyxovirinae; only the overall topology of the polypeptide chain seems to be conserved, suggesting that this domain evolved under weak selective pressure and varied in size by the acquisition or loss of functional modules. PMID:23785215

  5. Structural insights into FRS2α PTB domain recognition by neurotrophin receptor TrkB.

    Science.gov (United States)

    Zeng, Lei; Kuti, Miklos; Mujtaba, Shiraz; Zhou, Ming-Ming

    2014-07-01

    The fibroblast growth factor receptor (FGFR) substrate 2 (FRS2) family proteins function as scaffolding adapters for receptor tyrosine kinases (RTKs). The FRS2α proteins interact with RTKs through the phosphotyrosine-binding (PTB) domain and transfer signals from the activated receptors to downstream effector proteins. Here, we report the nuclear magnetic resonance structure of the FRS2α PTB domain bound to phosphorylated TrkB. The structure reveals that the FRS2α-PTB domain is comprised of two distinct but adjacent pockets for its mutually exclusive interaction with either nonphosphorylated juxtamembrane region of the FGFR, or tyrosine phosphorylated peptides TrkA and TrkB. The new structural insights suggest rational design of selective small molecules through targeting of the two conjunct pockets in the FRS2α PTB domain. © 2014 Wiley Periodicals, Inc.

  6. Comparison of S. cerevisiae F-BAR domain structures reveals a conserved inositol phosphate binding site

    Science.gov (United States)

    Moravcevic, Katarina; Alvarado, Diego; Schmitz, Karl R.; Kenniston, Jon A.; Mendrola, Jeannine M.; Ferguson, Kathryn M.; Lemmon, Mark A.

    2015-01-01

    SUMMARY F-BAR domains control membrane interactions in endocytosis, cytokinesis, and cell signaling. Although generally thought to bind curved membranes containing negatively charged phospholipids, numerous functional studies argue that differences in lipid-binding selectivities of F-BAR domains are functionally important. Here, we compare membrane-binding properties of the S. cerevisiae F-BAR domains in vitro and in vivo. Whereas some F-BAR domains (such as Bzz1p and Hof1p F-BARs) bind equally well to all phospholipids, the F-BAR domain from the RhoGAP Rgd1p preferentially binds phosphoinositides. We determined X-ray crystal structures of F-BAR domains from Hof1p and Rgd1p, the latter bound to an inositol phosphate. The structures explain phospholipid-binding selectivity differences, and reveal an F-BAR phosphoinositide binding site that is fully conserved in a mammalian RhoGAP called Gmip, and is partly retained in certain other F-BAR domains. Our findings reveal previously unappreciated determinants of F-BAR domain lipid-binding specificity, and provide a basis for its prediction from sequence. PMID:25620000

  7. Out-of-plane Piezoelectricity and Ferroelectricity in Layered α-In2Se3 Nano-flakes

    KAUST Repository

    Zhou, Yu

    2017-08-25

    Piezoelectric and ferroelectric properties in the two dimensional (2D) limit are highly desired for nanoelectronic, electromechanical, and optoelectronic applications. Here we report the first experimental evidence of out-of-plane piezoelectricity and ferroelectricity in van der Waals layered α-In2Se3 nano-flakes. The non-centrosymmetric R3m symmetry of the α-In2Se3 samples is confirmed by scanning transmission electron microscopy, second-harmonic generation, and Raman spectroscopy measurements. Domains with opposite polarizations are visualized by piezo-response force microscopy. Single-point poling experiments suggest that the polarization is potentially switchable for α-In2Se3 nano-flakes with thicknesses down to ~ 10 nm. The piezotronic effect is demonstrated in two-terminal devices, where the Schottky barrier can be modulated by the strain-induced piezopotential. Our work on polar α-In2Se3, one of the model 2D piezoelectrics and ferroelectrics with simple crystal structures, shows its great potential in electronic and photonic applications.

  8. Out-of-plane Piezoelectricity and Ferroelectricity in Layered α-In2Se3 Nano-flakes

    KAUST Repository

    Zhou, Yu; Wu, Di; Zhu, Yihan; Cho, Yujin; He, Qing; Yang, Xiao; Herrera, Kevin; Chu, Zhaodong; Han, Yu; Downer, Mike; Peng, Hailin; Lai, Keji

    2017-01-01

    Piezoelectric and ferroelectric properties in the two dimensional (2D) limit are highly desired for nanoelectronic, electromechanical, and optoelectronic applications. Here we report the first experimental evidence of out-of-plane piezoelectricity and ferroelectricity in van der Waals layered α-In2Se3 nano-flakes. The non-centrosymmetric R3m symmetry of the α-In2Se3 samples is confirmed by scanning transmission electron microscopy, second-harmonic generation, and Raman spectroscopy measurements. Domains with opposite polarizations are visualized by piezo-response force microscopy. Single-point poling experiments suggest that the polarization is potentially switchable for α-In2Se3 nano-flakes with thicknesses down to ~ 10 nm. The piezotronic effect is demonstrated in two-terminal devices, where the Schottky barrier can be modulated by the strain-induced piezopotential. Our work on polar α-In2Se3, one of the model 2D piezoelectrics and ferroelectrics with simple crystal structures, shows its great potential in electronic and photonic applications.

  9. Crystal structure of an EAL domain in complex with reaction product 5'-pGpG.

    Directory of Open Access Journals (Sweden)

    Julien Robert-Paganin

    Full Text Available FimX is a large multidomain protein containing an EAL domain and involved in twitching motility in Pseudomonas aeruginosa. We present here two crystallographic structures of the EAL domain of FimX (residues 438-686: one of the apo form and the other of a complex with 5'-pGpG, the reaction product of the hydrolysis of c-di-GMP. In both crystal forms, the EAL domains form a dimer delimiting a large cavity encompassing the catalytic pockets. The ligand is trapped in this cavity by its sugar phosphate moiety. We confirmed by NMR that the guanine bases are not involved in the interaction in solution. We solved here the first structure of an EAL domain bound to the reaction product 5'-pGpG. Though isolated FimX EAL domain has a very low catalytic activity, which would not be significant compared to other catalytic EAL domains, the structure with the product of the reaction can provides some hints in the mechanism of hydrolysis of the c-di-GMP by EAL domains.

  10. Crystal structure of an EAL domain in complex with reaction product 5'-pGpG.

    Science.gov (United States)

    Robert-Paganin, Julien; Nonin-Lecomte, Sylvie; Réty, Stéphane

    2012-01-01

    FimX is a large multidomain protein containing an EAL domain and involved in twitching motility in Pseudomonas aeruginosa. We present here two crystallographic structures of the EAL domain of FimX (residues 438-686): one of the apo form and the other of a complex with 5'-pGpG, the reaction product of the hydrolysis of c-di-GMP. In both crystal forms, the EAL domains form a dimer delimiting a large cavity encompassing the catalytic pockets. The ligand is trapped in this cavity by its sugar phosphate moiety. We confirmed by NMR that the guanine bases are not involved in the interaction in solution. We solved here the first structure of an EAL domain bound to the reaction product 5'-pGpG. Though isolated FimX EAL domain has a very low catalytic activity, which would not be significant compared to other catalytic EAL domains, the structure with the product of the reaction can provides some hints in the mechanism of hydrolysis of the c-di-GMP by EAL domains.

  11. Solution structure, dynamics and thermodynamics of the three SH3 domains of CD2AP

    Energy Technology Data Exchange (ETDEWEB)

    Roldan, Jose L. Ortega [Universidad de Granada, Departamento de Quimica Fisica e Instituto de Biotecnologia, Facultad de Ciencias (Spain); Blackledge, Martin [Institut de Biologie Structurale Jean-Pierre Ebel, CEA, CNRS, UJF UMR 5075, Protein Dynamics and Flexibility by NMR (France); Nuland, Nico A. J. van, E-mail: nvnuland@vub.ac.be [Vrije Universiteit Brussel, Structural Biology Brussels (Belgium); Azuaga, Ana I. [Universidad de Granada, Departamento de Quimica Fisica e Instituto de Biotecnologia, Facultad de Ciencias (Spain)

    2011-06-15

    CD2 associated protein (CD2AP) is an adaptor protein that plays an important role in cell to cell union needed for the kidney function. It contains three N-terminal SH3 domains that are able to interact among others with CD2, ALIX, c-Cbl and Ubiquitin. To understand the role of the individual SH3 domains of this adaptor protein we have performed a complete structural, thermodynamic and dynamic characterization of the separate domains using NMR and DSC. The energetic contributions to the stability and the backbone dynamics have been related to the structural features of each domain using the structure-based FoldX algorithm. We have found that the N-terminal SH3 domain of both adaptor proteins CD2AP and CIN85 are the most stable SH3 domains that have been studied until now. This high stability is driven by a more extensive network of intra-molecular interactions. We believe that this increased stabilization of N-terminal SH3 domains in adaptor proteins is crucial to maintain the necessary conformation to establish the proper interactions critical for the recruitment of their natural targets.

  12. Structural mapping of the coiled-coil domain of a bacterial condensin and comparative analyses across all domains of life suggest conserved features of SMC proteins.

    Science.gov (United States)

    Waldman, Vincent M; Stanage, Tyler H; Mims, Alexandra; Norden, Ian S; Oakley, Martha G

    2015-06-01

    The structural maintenance of chromosomes (SMC) proteins form the cores of multisubunit complexes that are required for the segregation and global organization of chromosomes in all domains of life. These proteins share a common domain structure in which N- and C- terminal regions pack against one another to form a globular ATPase domain. This "head" domain is connected to a central, globular, "hinge" or dimerization domain by a long, antiparallel coiled coil. To date, most efforts for structural characterization of SMC proteins have focused on the globular domains. Recently, however, we developed a method to map interstrand interactions in the 50-nm coiled-coil domain of MukB, the divergent SMC protein found in γ-proteobacteria. Here, we apply that technique to map the structure of the Bacillus subtilis SMC (BsSMC) coiled-coil domain. We find that, in contrast to the relatively complicated coiled-coil domain of MukB, the BsSMC domain is nearly continuous, with only two detectable coiled-coil interruptions. Near the middle of the domain is a break in coiled-coil structure in which there are three more residues on the C-terminal strand than on the N-terminal strand. Close to the head domain, there is a second break with a significantly longer insertion on the same strand. These results provide an experience base that allows an informed interpretation of the output of coiled-coil prediction algorithms for this family of proteins. A comparison of such predictions suggests that these coiled-coil deviations are highly conserved across SMC types in a wide variety of organisms, including humans. © 2015 Wiley Periodicals, Inc.

  13. Magnetic domain structures and stray fields of individual elongated magnetite grains revealed by magnetic force microscopy (MFM)

    DEFF Research Database (Denmark)

    Frandsen, Cathrine; Stipp, S. L. S.; McEnroe, S. A.

    2004-01-01

    ), the internal domain structure was determined for individual grains. In general, the lamellae were pseudo-single-domain grains with open-flux domain magnetisations parallel to their long axes. The domain sizes were, in cross-section, on the order of a micrometer for the longer lamellae and about 300 nm...

  14. Universal ferroelectric switching dynamics of vinylidene fluoride-trifluoroethylene copolymer films

    KAUST Repository

    Hu, Weijin

    2014-04-24

    In this work, switching dynamics of poly(vinylidene fluoride- trifluoroethylene) [P(VDF-TrFE)] copolymer films are investigated over unprecedentedly wide ranges of temperature and electric field. Remarkably, domain switching of copolymer films obeys well the classical domain nucleation and growth model although the origin of ferroelectricity in organic ferroelectric materials inherently differs from the inorganic counterparts. A lower coercivity limit of 50 ...MV/m and 180 domain wall energy of 60 ...mJ/m 2 are determined for P(VDF-TrFE) films. Furthermore, we discover in copolymer films an anomalous temperature-dependent crossover behavior between two power-law scaling regimes of frequency-dependent coercivity, which is attributed to the transition between flow and creep motions of domain walls. Our observations shed new light on the switching dynamics of semi-crystalline ferroelectric polymers, and such understandings are critical for realizing their reliable applications.

  15. Universal ferroelectric switching dynamics of vinylidene fluoride-trifluoroethylene copolymer films

    KAUST Repository

    Hu, Weijin; Juo, Deng-Ming; You, Lu; Wang, Junling; Chen, Yi-Chun; Chu, Ying-Hao; Wu, Tao

    2014-01-01

    In this work, switching dynamics of poly(vinylidene fluoride- trifluoroethylene) [P(VDF-TrFE)] copolymer films are investigated over unprecedentedly wide ranges of temperature and electric field. Remarkably, domain switching of copolymer films obeys well the classical domain nucleation and growth model although the origin of ferroelectricity in organic ferroelectric materials inherently differs from the inorganic counterparts. A lower coercivity limit of 50 ...MV/m and 180 domain wall energy of 60 ...mJ/m 2 are determined for P(VDF-TrFE) films. Furthermore, we discover in copolymer films an anomalous temperature-dependent crossover behavior between two power-law scaling regimes of frequency-dependent coercivity, which is attributed to the transition between flow and creep motions of domain walls. Our observations shed new light on the switching dynamics of semi-crystalline ferroelectric polymers, and such understandings are critical for realizing their reliable applications.

  16. Designing A Simple Folder Structure For A Complex Domain

    Directory of Open Access Journals (Sweden)

    Torkil Clemmensen

    2011-01-01

    Full Text Available In this paper I explore a case of designing a simple folder structure for a new e-learning software program for a university study program. The aim is to contribute to the theoretical base for human work interaction design (HWID by identifying the type of relations connecting design artifacts with work analysis and interaction design processes. The action research method was used, with the author in a double role as university researcher and project manager of a developer group within the university. Analysis was conducted through grounded theory, inspired by the HWID framework. The findings support the use of a holistic framework with asymmetrical relations between work analysis and design artifacts, and between design artifacts and interaction design. The paper concludes with suggestions for modifying the general framework, and recommendations for a HWID approach to design artifacts.

  17. Atomic resolution structure of the E. coli YajR transporter YAM domain

    Energy Technology Data Exchange (ETDEWEB)

    Jiang, Daohua [National Laboratory of Macromolecules, National Center of Protein Science-Beijing, Institute of Biophysics, Chinese Academy of Sciences, 15 Datun Road, Beijing 100101 (China); School of Life Science and Technology, Huazhong University of Science and Technology, Wuhan, Hubei 430074 (China); Zhao, Yan [National Laboratory of Macromolecules, National Center of Protein Science-Beijing, Institute of Biophysics, Chinese Academy of Sciences, 15 Datun Road, Beijing 100101 (China); School of Life Sciences, University of Science and Technology of China, Hefei, Anhui 230027 (China); Fan, Junping; Liu, Xuehui; Wu, Yan; Feng, Wei [National Laboratory of Macromolecules, National Center of Protein Science-Beijing, Institute of Biophysics, Chinese Academy of Sciences, 15 Datun Road, Beijing 100101 (China); Zhang, Xuejun C., E-mail: zhangc@ibp.ac.cn [National Laboratory of Macromolecules, National Center of Protein Science-Beijing, Institute of Biophysics, Chinese Academy of Sciences, 15 Datun Road, Beijing 100101 (China)

    2014-07-25

    Highlights: • We report the crystal structure of the YAM domain of YajR transporter at 1.07 Å. • The YAM dimerization is related to the halogen-dependent high thermal stability. • A belt of poly-pentagonal water molecules was observed in the dimer interface. - Abstract: YajR is an Escherichia coli transporter that belongs to the major facilitator superfamily. Unlike most MFS transporters, YajR contains a carboxyl terminal, cytosolic domain of 67 amino acid residues termed YAM domain. Although it is speculated that the function of this small soluble domain is to regulate the conformational change of the 12-helix transmembrane domain, its precise regulatory role remains unclear. Here, we report the crystal structure of the YAM domain at 1.07-Å resolution, along with its structure determined using nuclear magnetic resonance. Detailed analysis of the high resolution structure revealed a symmetrical dimer in which a belt of well-ordered poly-pentagonal water molecules is embedded. A mutagenesis experiment and a thermal stability assay were used to analyze the putative role of this dimerization in response to changes in halogen concentration.

  18. Structure of the EMMPRIN N-terminal domain 1: Dimerization via [beta]-strand swapping

    Energy Technology Data Exchange (ETDEWEB)

    Luo, Jinquan; Teplyakov, Alexey; Obmolova, Galina; Malia, Thomas; Wu, Sheng-Jiun; Beil, Eric; Baker, Audrey; Swencki-Underwood, Bethany; Zhao, Yonghong; Sprenkle, Justin; Dixon, Ken; Sweet, Raymond; Gilliland, Gary L.; (Centocor)

    2010-09-27

    Extracellular matrix metalloproteinase inducer (EMMPRIN), also known as Hab18G, CD147, Basigin, M6, and neurothelin, is a membrane glycoprotein expressed on the surface of various cell types and many cancer cells. EMMPRIN stimulates adjacent fibroblasts and tumor cells to produce matrix metalloproteinases and plays an important role in tumor invasion and metastasis, angiogenesis, spermatogensis and fertilization, cell-cell adhesion and communication, and other biological processes (reviewed in Ref. 1 and references therein). It was demonstrated that the EMMPRIN extracellular domain (ECD), which structurally belongs to the IgG superfamily, can form homo-oligomers in a cis dependent manner and the N-terminal domain 1 (residues 22-101) was necessary and sufficient to mediate this interaction. The crystal structure of the ECD of recombinant human EMMPRIN (Hab18G/CD147) expressed in E. coli was reported at 2.8 {angstrom} resolution (Yu et al. 2008). The construct consists of residues 22-205 of the mature protein and has both an N-terminal IgC2 domain (ND1, residues 22-101) and a C-terminal IgC2 domain (ND2, residues 107-205). The two domains are joined by a five amino acid residue linker that constitutes a flexible hinge between the two domains. The crystal form has four copies of the molecule in the asymmetric unit, each of which has a different inter-domain angle that varies from 121{sup o} to 144{sup o}. The two domains each have a conserved disulfide bridge and both are comprised of two {beta}-sheets formed by strands EBA and GFCC, and DEBA and AGFCC for ND1 and ND2, respectively. Based on the crystal packing in this structure, the authors proposed that lateral packing between the two IgG domains of EMMPRIN ECD represents a potential mechanism for cell adhesion. Here we report the 2.0-{angstrom} crystal structure of the N-terminal domain of EMMPRIN ECD (ND1) expressed in mammalian cells. The overall structure of the domain is very similar to that in the full length

  19. Programmable ferroelectric tunnel memristor

    Directory of Open Access Journals (Sweden)

    Andy eQuindeau

    2014-02-01

    Full Text Available We report an analogously programmable memristor based on genuine electronic resistive switching combining ferroelectric switching and electron tunneling. The tunnel current through an 8 unit cell thick epitaxial Pb(Zr[0.2]Ti[0.8]O[3] film sandwiched between La[0.7]Sr[0.3]MnO[3] and cobalt electrodes obeys the Kolmogorov-Avrami-Ishibashi model for bidimensional growth with a characteristic switching time in the order of 10^-7 seconds. The analytical description of switching kinetics allows us to develop a characteristic transfer function that has only one parameter viz. the characteristic switching time and fully predicts the resistive states of this type of memristor.

  20. Solution structure of telomere binding domain of AtTRB2 derived from Arabidopsis thaliana

    International Nuclear Information System (INIS)

    Yun, Ji-Hye; Lee, Won Kyung; Kim, Heeyoun; Kim, Eunhee; Cheong, Chaejoon; Cho, Myeon Haeng; Lee, Weontae

    2014-01-01

    Highlights: • We have determined solution structure of Myb domain of AtTRB2. • The Myb domain of AtTRB2 is located in the N-terminal region. • The Myb domain of AtTRB2 binds to plant telomeric DNA without fourth helix. • Helix 2 and 3 of the Myb domain of AtTRB2 are involved in DNA recognition. • AtTRB2 is a novel protein distinguished from other known plant TBP. - Abstract: Telomere homeostasis is regulated by telomere-associated proteins, and the Myb domain is well conserved for telomere binding. AtTRB2 is a member of the SMH (Single-Myb-Histone)-like family in Arabidopsis thaliana, having an N-terminal Myb domain, which is responsible for DNA binding. The Myb domain of AtTRB2 contains three α-helices and loops for DNA binding, which is unusual given that other plant telomere-binding proteins have an additional fourth helix that is essential for DNA binding. To understand the structural role for telomeric DNA binding of AtTRB2, we determined the solution structure of the Myb domain of AtTRB2 (AtTRB2 1–64 ) using nuclear magnetic resonance (NMR) spectroscopy. In addition, the inter-molecular interaction between AtTRB2 1–64 and telomeric DNA has been characterized by the electrophoretic mobility shift assay (EMSA) and NMR titration analyses for both plant (TTTAGGG)n and human (TTAGGG)n telomere sequences. Data revealed that Trp28, Arg29, and Val47 residues located in Helix 2 and Helix 3 are crucial for DNA binding, which are well conserved among other plant telomere binding proteins. We concluded that although AtTRB2 is devoid of the additional fourth helix in the Myb-extension domain, it is able to bind to plant telomeric repeat sequences as well as human telomeric repeat sequences

  1. Solution structure of telomere binding domain of AtTRB2 derived from Arabidopsis thaliana

    Energy Technology Data Exchange (ETDEWEB)

    Yun, Ji-Hye [Department of Biochemistry, College of Life Science and Biotechnology, Yonsei University, Seoul 120-749 (Korea, Republic of); Lee, Won Kyung [Department of Systems Biology, College of Life Science and Biotechnology, Yonsei University, Seoul 120-749 (Korea, Republic of); Kim, Heeyoun [Department of Biochemistry, College of Life Science and Biotechnology, Yonsei University, Seoul 120-749 (Korea, Republic of); Kim, Eunhee; Cheong, Chaejoon [Magnetic Resonance Team, Korea Basic Science Institute (KBSI), Ochang, Chungbuk 363-883 (Korea, Republic of); Cho, Myeon Haeng [Department of Systems Biology, College of Life Science and Biotechnology, Yonsei University, Seoul 120-749 (Korea, Republic of); Lee, Weontae, E-mail: wlee@spin.yonsei.ac.kr [Department of Biochemistry, College of Life Science and Biotechnology, Yonsei University, Seoul 120-749 (Korea, Republic of)

    2014-09-26

    Highlights: • We have determined solution structure of Myb domain of AtTRB2. • The Myb domain of AtTRB2 is located in the N-terminal region. • The Myb domain of AtTRB2 binds to plant telomeric DNA without fourth helix. • Helix 2 and 3 of the Myb domain of AtTRB2 are involved in DNA recognition. • AtTRB2 is a novel protein distinguished from other known plant TBP. - Abstract: Telomere homeostasis is regulated by telomere-associated proteins, and the Myb domain is well conserved for telomere binding. AtTRB2 is a member of the SMH (Single-Myb-Histone)-like family in Arabidopsis thaliana, having an N-terminal Myb domain, which is responsible for DNA binding. The Myb domain of AtTRB2 contains three α-helices and loops for DNA binding, which is unusual given that other plant telomere-binding proteins have an additional fourth helix that is essential for DNA binding. To understand the structural role for telomeric DNA binding of AtTRB2, we determined the solution structure of the Myb domain of AtTRB2 (AtTRB2{sub 1–64}) using nuclear magnetic resonance (NMR) spectroscopy. In addition, the inter-molecular interaction between AtTRB2{sub 1–64} and telomeric DNA has been characterized by the electrophoretic mobility shift assay (EMSA) and NMR titration analyses for both plant (TTTAGGG)n and human (TTAGGG)n telomere sequences. Data revealed that Trp28, Arg29, and Val47 residues located in Helix 2 and Helix 3 are crucial for DNA binding, which are well conserved among other plant telomere binding proteins. We concluded that although AtTRB2 is devoid of the additional fourth helix in the Myb-extension domain, it is able to bind to plant telomeric repeat sequences as well as human telomeric repeat sequences.

  2. The retinal specific CD147 Ig0 domain: from molecular structure to biological activity

    Science.gov (United States)

    Redzic, Jasmina S.; Armstrong, Geoffrey S.; Isern, Nancy. G.; Jones, David N.M.; Kieft, Jeffrey S.; Eisenmesser, Elan Zohar

    2011-01-01

    CD147 is a type I transmembrane protein that is involved in inflammatory diseases, cancer progression, and multiple human pathogens utilize CD147 for efficient infection. In several cancers, CD147 expression is so high that it is now used as a prognostic marker. The two primary isoforms of CD147 that are related to cancer progression have been identified, differing in their number of immunoglobulin (Ig)-like domains. These include CD147 Ig1-Ig2 that is ubiquitously expressed in most tissues and CD147 Ig0-Ig1-Ig2 that is retinal specific and implicated in retinoblastoma. However, little is known in regard to the retinal specific CD147 Ig0 domain despite its potential role in retinoblastoma. We present the first crystal structure of the human CD147 Ig0 domain and show that the CD147 Ig0 domain is a crystallographic dimer with an I-type domain structure, which is maintained in solution. Furthermore, we have utilized our structural data together with mutagenesis to probe the biological activity of CD147-containing proteins both with and without the CD147 Ig0 domain within several model cell lines. Our findings reveal that the CD147 Ig0 domain is a potent stimulator of interleukin-6 and suggest that the CD147 Ig0 domain has its own receptor distinct from that of the other CD147 Ig-like domains, CD147 Ig1-Ig2. Finally, we show that the CD147 Ig0 dimer is the functional unit required for activity and can be disrupted by a single point mutation. PMID:21620857

  3. Structure, ferroelectric ordering, and semiempirical quantum calculations of lanthanide based metal-organic framework: [Nd(C4H5O6)(C4H4O6)][3H2O

    International Nuclear Information System (INIS)

    Ahmad, Bhat Zahoor; Want, Basharat

    2016-01-01

    We investigate the structure and ferroelectric behavior of a lanthanide based metal-organic framework (MOF), [Nd(C 4 H 5 O 6 )(C 4 H 4 O 6 )][3H 2 O]. X-ray crystal structure analyses reveal that it crystallizes in the P4 1 2 1 2 space group with Nd centres, coordinated by nine oxygen atoms, forming a distorted capped square antiprismatic geometry. The molecules, bridged by tartrate ligands, form a 2D chiral structure. The 2D sheets are further linked into a 3D porous framework via strong hydrogen-bonding scheme (O-H…O ≈ 2.113 Å). Dielectric studies reveal two anomalies at 295 K and 185 K. The former is a paraelectric-ferroelectric transition, and the later is attributed to the freezing down of the motion of the hydroxyl groups. The phase transition is of second order, and the spontaneous polarization in low temperature phase is attributed to the ordering of protons of hydroxyl groups. The dielectric nonlinearity parameters have been calculated using Landau– Devonshire phenomenological theory. In addition, the most recent semiempirical models, Sparkle/PM7, Sparkle/RM1, and Sparkle/AM1, are tested on the present system to assay the accuracy of semiempirical quantum approaches to predict the geometries of solid MOFs. Our results show that Sparkle/PM7 model is the most accurate to predict the unit cell structure and coordination polyhedron geometry. The semiempirical methods are also used to calculate different ground state molecular properties.

  4. Domain structures and magnetization reversal in Co/Pd and CoFeB/Pd multilayers

    Energy Technology Data Exchange (ETDEWEB)

    Sbiaa, R., E-mail: rachid@squ.edu.om [Department of Physics, Sultan Qaboos University, P.O. Box 36, PC 123 (Oman); Ranjbar, M. [Physics Department, University of Gothenburg, 412 96 Gothenburg (Sweden); Åkerman, J. [Physics Department, University of Gothenburg, 412 96 Gothenburg (Sweden); Materials Physics, School of ICT, Royal Institute of Technology (KTH), 164 40 Kista (Sweden)

    2015-05-07

    Domain structures and magnetization reversal of (Co/Pd) and (CoFeB/Pd) multilayers with 7 and 14 repeats were investigated. The Co-based multilayers show much larger coercivities, a better squareness, and a sharper magnetization switching than CoFeB-based multilayers. From magnetic force microscopy observations, both structures show strong reduction in domains size as the number of repeats increases but the magnetic domains for Co-based multilayers are more than one order of magnitude larger than for CoFeB-based multilayers. By imaging domains at different times, breaks in the (CoFeB/Pd) multilayer stripes were observed within only few hours, while no change could be seen for (Co/Pd) multilayers. Although CoFeB single layers are suitable for magnetoresistive devices due to their large spin polarization and low damping constants, their lamination with Pd suffers mainly from thermal instability.

  5. Is there a domain-general cognitive structuring system? Evidence from structural priming across music, math, action descriptions, and language.

    Science.gov (United States)

    Van de Cavey, Joris; Hartsuiker, Robert J

    2016-01-01

    Cognitive processing in many domains (e.g., sentence comprehension, music listening, and math solving) requires sequential information to be organized into an integrational structure. There appears to be some overlap in integrational processing across domains, as shown by cross-domain interference effects when for example linguistic and musical stimuli are jointly presented (Koelsch, Gunter, Wittfoth, & Sammler, 2005; Slevc, Rosenberg, & Patel, 2009). These findings support theories of overlapping resources for integrational processing across domains (cfr. SSIRH Patel, 2003; SWM, Kljajevic, 2010). However, there are some limitations to the studies mentioned above, such as the frequent use of unnaturalistic integrational difficulties. In recent years, the idea has risen that evidence for domain-generality in structural processing might also be yielded though priming paradigms (cfr. Scheepers, 2003). The rationale behind this is that integrational processing across domains regularly requires the processing of dependencies across short or long distances in the sequence, involving respectively less or more syntactic working memory resources (cfr. SWM, Kljajevic, 2010), and such processing decisions might persist over time. However, whereas recent studies have shown suggestive priming of integrational structure between language and arithmetics (though often dependent on arithmetic performance, cfr. Scheepers et al., 2011; Scheepers & Sturt, 2014), it remains to be investigated to what extent we can also find evidence for priming in other domains, such as music and action (cfr. SWM, Kljajevic, 2010). Experiment 1a showed structural priming from the processing of musical sequences onto the position in the sentence structure (early or late) to which a relative clause was attached in subsequent sentence completion. Importantly, Experiment 1b showed that a similar structural manipulation based on non-hierarchically ordered color sequences did not yield any priming effect

  6. Expression, purification and insights into structure and folding of the ADAM22 pro domain

    DEFF Research Database (Denmark)

    Sørensen, Hans Peter; Jacobsen, Jonas; Nielbo, Steen

    2008-01-01

    . To understand the functions of human ADAM pro domains and to determine three-dimensional structures, we have screened promising targets for expression and purification properties when using Escherichia coli as the host. The pro domain of ADAM22 (ADAM22-P) expressed in E. coli was folded, as determined by CD...... and NMR spectroscopy. An ADAM22-P fragment encoding residues 26-199 could be expressed in high amounts, remained soluble above 1 mM, and was suitable for structural studies by NMR spectroscopy. CD spectroscopy and predictions suggest that the secondary structure in ADAM22-P consists of beta...

  7. Soil-structure interaction analysis of NPP containments: substructure and frequency domain methods

    International Nuclear Information System (INIS)

    Venancio-Filho, F.; Almeida, M.C.F.; Ferreira, W.G.; De Barros, F.C.P.

    1997-01-01

    Substructure and frequency domain methods for soil-structure interaction are addressed in this paper. After a brief description of mathematical models for the soil and of excitation, the equations for dynamic soil-structure interaction are developed for a rigid surface foundation and for an embedded foundation. The equations for the frequency domain analysis of MDOF systems are provided. An example of soil-structure interaction analysis with frequency-dependent soil properties is given and examples of identification of foundation impedance functions and soil properties are presented. (orig.)

  8. The structure of a conserved Piezo channel domain reveals a novel beta sandwich fold

    Science.gov (United States)

    Kamajaya, Aron; Kaiser, Jens; Lee, Jonas; Reid, Michelle; Rees, Douglas C.

    2014-01-01

    Summary Piezo has recently been identified as a family of eukaryotic mechanosensitive channels composed of subunits containing over 2000 amino acids, without recognizable sequence similarity to other channels. Here, we present the crystal structure of a large, conserved extramembrane domain located just before the last predicted transmembrane helix of C. elegans PIEZO, which adopts a novel beta sandwich fold. The structure was also determined of a point mutation located on a conserved surface at the position equivalent to the human PIEZO1 mutation found in Dehydrated Hereditary Stomatocytosis (DHS) patients (M2225R). While the point mutation does not change the overall domain structure, it does alter the surface electrostatic potential that may perturb interactions with a yet-to-be identified ligand or protein. The lack of structural similarity between this domain and any previously characterized fold, including those of eukaryotic and bacterial channels, highlights the distinctive nature of the Piezo family of eukaryotic mechanosensitive channels. PMID:25242456

  9. Crystal structure of the Rasputin NTF2-like domain from Drosophila melanogaster

    DEFF Research Database (Denmark)

    Vognsen, Tina Reinholdt; Kristensen, Ole

    2012-01-01

    The crystal structure of the NTF2-like domain of the Drosophila homolog of Ras GTPase SH3 Binding Protein (G3BP), Rasputin, was determined at 2.7Å resolution. The overall structure is highly similar to nuclear transport factor 2: It is a homodimer comprised of a ß-sheet and three a-helices forming...

  10. Characterization of high-power RF structures using time-domain field codes

    International Nuclear Information System (INIS)

    Shang, C.C.; DeFord, J.F.; Swatloski, T.L.

    1992-01-01

    We have modeled gyrotron windows and gyrotron amplifier sever structures for TE modes in the 100--150 GHz range and have computed the reflection and transmission characteristics from the field data. Good agreement with frequency domain codes and analytic analysis have been obtained for some simple geometries. We present results for realistic structures with lousy coatings and describe implementation of microwave diagnostics

  11. Fast identification of folded human protein domains expressed in E. coli suitable for structural analysis

    Directory of Open Access Journals (Sweden)

    Schlegel Brigitte

    2004-03-01

    Full Text Available Abstract Background High-throughput protein structure analysis of individual protein domains requires analysis of large numbers of expression clones to identify suitable constructs for structure determination. For this purpose, methods need to be implemented for fast and reliable screening of the expressed proteins as early as possible in the overall process from cloning to structure determination. Results 88 different E. coli expression constructs for 17 human protein domains were analysed using high-throughput cloning, purification and folding analysis to obtain candidates suitable for structural analysis. After 96 deep-well microplate expression and automated protein purification, protein domains were directly analysed using 1D 1H-NMR spectroscopy. In addition, analytical hydrophobic interaction chromatography (HIC was used to detect natively folded protein. With these two analytical methods, six constructs (representing two domains were quickly identified as being well folded and suitable for structural analysis. Conclusion The described approach facilitates high-throughput structural analysis. Clones expressing natively folded proteins suitable for NMR structure determination were quickly identified upon small scale expression screening using 1D 1H-NMR and/or analytical HIC. This procedure is especially effective as a fast and inexpensive screen for the 'low hanging fruits' in structural genomics.

  12. Structures of the Gasdermin D C-Terminal Domains Reveal Mechanisms of Autoinhibition.

    Science.gov (United States)

    Liu, Zhonghua; Wang, Chuanping; Rathkey, Joseph K; Yang, Jie; Dubyak, George R; Abbott, Derek W; Xiao, Tsan Sam

    2018-05-01

    Pyroptosis is an inflammatory form of programmed cell death that plays important roles in immune protection against infections and in inflammatory disorders. Gasdermin D (GSDMD) is an executor of pyroptosis upon cleavage by caspases-1/4/5/11 following canonical and noncanonical inflammasome activation. GSDMD N-terminal domain assembles membrane pores to induce cytolysis, whereas its C-terminal domain inhibits cell death through intramolecular association with the N domain. The molecular mechanisms of autoinhibition for GSDMD are poorly characterized. Here we report the crystal structures of the human and murine GSDMD C-terminal domains, which differ from those of the full-length murine GSDMA3 and the human GSDMB C-terminal domain. Mutations of GSDMD C-domain residues predicted to locate at its interface with the N-domain enhanced pyroptosis. Our results suggest that GSDMDs may employ a distinct mode of intramolecular domain interaction and autoinhibition, which may be relevant to its unique role in pyroptosis downstream of inflammasome activation. Copyright © 2018 Elsevier Ltd. All rights reserved.

  13. Structures of the NLRP14 pyrin domain reveal a conformational switch mechanism regulating its molecular interactions

    International Nuclear Information System (INIS)

    Eibl, Clarissa; Hessenberger, Manuel; Wenger, Julia; Brandstetter, Hans

    2014-01-01

    Pyrin domains (PYDs) recruit downstream effector molecules in NLR signalling. A specific charge-relay system suggests a the formation of a signalling complex involving a PYD dimer. The cytosolic tripartite NLR receptors serve as important signalling platforms in innate immunity. While the C-terminal domains act as sensor and activation modules, the N-terminal death-like domain, e.g. the CARD or pyrin domain, is thought to recruit downstream effector molecules by homotypic interactions. Such homotypic complexes have been determined for all members of the death-domain superfamily except for pyrin domains. Here, crystal structures of human NLRP14 pyrin-domain variants are reported. The wild-type protein as well as the clinical D86V mutant reveal an unexpected rearrangement of the C-terminal helix α6, resulting in an extended α5/6 stem-helix. This reordering mediates a novel symmetric pyrin-domain dimerization mode. The conformational switching is controlled by a charge-relay system with a drastic impact on protein stability. How the identified charge relay allows classification of NLRP receptors with respect to distinct recruitment mechanisms is discussed

  14. Investigation on structural, Mössbauer and ferroelectric properties of (1−x)PbFe{sub 0.5}Nb{sub 0.5}O{sub 3}–(x)BiFeO{sub 3} solid solution

    Energy Technology Data Exchange (ETDEWEB)

    Dadami, Sunanda T.; Matteppanavar, Shidaling; Shivaraja, I. [Department of Physics, JB Campus, Bangalore University, Bangalore 560056 (India); Rayaprol, Sudhindra [UGC-DAE-Consortium for Scientific Research, Mumbai Centre, BARC Campus, Mumbai 400085 (India); Angadi, Basavaraj, E-mail: brangadi@gmail.com [Department of Physics, JB Campus, Bangalore University, Bangalore 560056 (India); Sahoo, Balaram [Materials Research Centre, Indian Institute of Science, Bangalore 560012 (India)

    2016-11-15

    In this study, (1−x)PbFe{sub 0.5}Nb{sub 0.5}O{sub 3}(PFN)–(x)BiFeO{sub 3}(BFO) multiferroic solid solutions with x=0.0, 0.1, 0.2, 0.3 and 0.4 were synthesized through single step solid state reaction method and characterized thoroughly through X-ray Diffraction (XRD), Scanning Electron Microscopy (SEM), Fourier Transform Infra-Red (FTIR), Raman, Mössbauer spectroscopy and ferroelectric studies. The room temperature (RT) XRD studies confirmed the formation of single phase with negligible amount of secondary phases (x=0.2 and 0.4). The zoomed XRD patterns of (1−x)PFN–(x)BFO solid solutions showed the clear structural phase transition from monoclinic (Cm) to rhombohedral (R3c) at x=0.4. The Raman spectra of the (1−x)PFN–(x)BFO solid solutions showed the composition dependent phase transition from monoclinic (Cm) to rhombohedral (R3c). With increasing x in PFN, the modes related monoclinic symmetry changes to those of rhombohedral symmetry. The RT Mössbauer spectroscopy results evidenced the existence of composition dependent phase transition from paramagnetic to weak antiferromagnetic ordering and weak antiferromagnetic to antiferromagnetic ordering. The Mössbauer spectroscopy showed paramagnetic behavior with a doublet for x=0.0, 0.1 and 0.2 are shows the weak antiferromagnetic with paramagnetic ordering. For x=0.3 and 0.4 shows the sextet pattern and it is a clear evidence of antiferromagnetism. The ferroelectric (P–E) loops at RT indicate the presence of small polarization, as the x concentration increases in PFN, the remnant polarization and coercive field were decreased, which may due to the increase in the conductivity and leaky behavior of the samples. - Highlights: • Structural, Mössbauer, ferroelectric studies on (1−x)PFN–xBiFeO{sub 3} multiferroics. • Composition dependent changes in crystallographic and magnetic structure. • System exhibits phase transition from monoclinic to rhombohedral with x. • Supporting results from Raman

  15. Vibration sensing in flexible structures using a distributed-effect modal domain optical fiber sensor

    Science.gov (United States)

    Reichard, Karl M.; Lindner, Douglas K.; Claus, Richard O.

    1991-01-01

    Modal domain optical fiber sensors have recently been employed in the implementation of system identification algorithms and the closed-loop control of vibrations in flexible structures. The mathematical model of the modal domain optical fiber sensor used in these applications, however, only accounted for the effects of strain in the direction of the fiber's longitudinal axis. In this paper, we extend this model to include the effects of arbitrary stress. Using this sensor model, we characterize the sensor's sensitivity and dynamic range.

  16. Proceedings of the 8th International Symposium on Applications of Ferroelectrics

    Science.gov (United States)

    Liu, M.; Safari, A.; Kingon, A.; Haertling, G.

    1993-02-01

    The eighth International Symposium on the Applications of Ferroelectrics was held in Greenville, SC, on August 30 to Sept 2, 1992. It was attended by approximately 260 scientists and engineers who presented nearly 200 oral and poster papers. The three plenary presentations covered ferroelectric materials which are currently moving into commercial exploitation or have strong potential to do so. These were (1) pyroelectric imaging, (2) ferroelectric materials integrated with silicon for use as micromotors and microsensors and (3) research activity in Japan on high permittivity materials for DRAM's. Invited papers covered such subjects as pyroelectric and electrooptic properties of thin films, photorefractive effects, ferroelectric polymers, piezoelectric transducers, processing of ferroelectrics, domain switching in ferroelectrics, thin film memories, thin film vacuum deposition techniques and the fabrication of chemically prepared PZT and PLZT thin films. The papers continued to reflect the large interest in ferroelectric thin films. It was encouraging that there have been substantial strides made in both the processing and understanding of the films in the last two years. It was equally clear, however, that much still remains to be done before reliable thin film devices will be available in the marketplace.

  17. Controlling the properties of ferroelectric-nickelate interfaces

    Science.gov (United States)

    Marshall, Matthew S. J.; Malashevich, Andrei; Disa, Ankit; Han, Myung-Geun; Zhu, Yimei; Ismail-Beigi, Sohrab; Walker, Frederick; Ahn, Charles

    2015-03-01

    Ferroelectrics are a class of materials that exhibit a stable, reversible polarization making them useful for non-volatile electronic devices. In devices consisting of thin film ferroelectric PZT acting as a gate and a thin film of the conductive oxide LaNiO3 grown on LaAlO3(001) acting as a channel, we have realized a large change in room temperature channel resistance by switching the ferroelectric polarization. The effect of switching the polarization of the ferroelectric is to modify the electronic structure of the interface between the gate and channel, resulting in conduction in the otherwise insulating ferroelectric. Here, we discuss how changing the epitaxial strain and interface termination of LaNiO3 can result in larger changes in resistivity. The epitaxial strain is varied by growing the devices on LaAlO3 for tensile strain and SrTiO3 for compressive strain. An interface termination of either an atomic layer of NiO2 or LaO is achieved via atomic layering using oxygen plasma assisted molecular beam epitaxy (MBE).

  18. Crystal structure of a PFU-PUL domain pair of Saccharomyces cerevisiae Doa1/Ufd3.

    Science.gov (United States)

    Nishimasu, Rieko; Komori, Hirofumi; Higuchi, Yoshiki; Nishimasu, Hiroshi; Hiroaki, Hidekazu

    2010-10-21

    Doa1/Ufd3 is involved in ubiquitin (Ub)-dependent cellular processes in Saccharomyces cerevisiae, and consists of WD40, PFU, and PUL domains. Previous studies showed that the PFU and PUL domains interact with Ub and Hse1, and Cdc48, respectively. However, their detailed functional interactions with Doa1 remained elusive. We report the crystal structure of the PFU-PUL domain pair of yeast Doa1 at 1.9 Å resolution. The conserved surface of the PFU domain may be involved in binding to Ub and Hse1. Unexpectedly, the PUL domain consists of an Armadillo (ARM)-like repeat structure. The positively charged concave surface of the PUL domain may bind to the negatively charged C-terminal region of Cdc48. A structural comparison of Doa1 with Ufd2 revealed that they share a similar ARM-like repeat, supporting a model in which Doa1 and Ufd2 compete for Cdc48 binding and may dictate the fate of ubiquitinated proteins in the proteasome pathway.

  19. Structure of a WW domain-containing fragment of dystrophin complexed with {beta}-dystroglycan.

    Energy Technology Data Exchange (ETDEWEB)

    Huang, X.; Poy, F.; Zhang, R.; Joachimiak, A.; Sudol, M.; Eck, M. J.; Biosciences Division; Dana Farber Cancer Inst.; Harvard Medical School; Mount Sinai School of Medicine

    2000-08-01

    Dystrophin and {beta}-dystroglycan are components of the dystrophin--glycoprotein complex (DGC), a multimolecular assembly that spans the cell membrane and links the actin cytoskeleton to the extracellular basal lamina. Defects in the dystrophin gene are the cause of Duchenne and Becker muscular dystrophies. The C-terminal region of dystrophin binds the cytoplasmic tail of {beta}-dystroglycan, in part through the interaction of its WW domain with a proline-rich motif in the tail of {beta}-dystroglycan. Here we report the crystal structure of this portion of dystrophin in complex with the proline-rich binding site in {beta}-dystroglycan. The structure shows that the dystrophin WW domain is embedded in an adjacent helical region that contains two EF-hand-like domains. The {beta}-dystroglycan peptide binds a composite surface formed by the WW domain and one of these EF-hands. Additionally, the structure reveals striking similarities in the mechanisms of proline recognition employed by WW domains and SH3 domains.

  20. Structure determination and analysis of a haemolytic gingipain adhesin domain from Porphyromonas gingivalis

    Energy Technology Data Exchange (ETDEWEB)

    Li, N.; Yun, P.; Nadkarni, M.A.; Ghadikolaee, N.B.; Nguyen, K.A.; Lee, M.; Hunter, N.; Collyer, C.A. (Sydney)

    2010-08-27

    Porphyromonas gingivalis is an obligately anaerobic bacterium recognized as an aetiological agent of adult periodontitis. P. gingivalis produces cysteine proteinases, the gingipains. The crystal structure of a domain within the haemagglutinin region of the lysine gingipain (Kgp) is reported here. The domain was named K2 as it is the second of three homologous structural modules in Kgp. The K2 domain structure is a 'jelly-roll' fold with two anti-parallel {beta}-sheets. This fold topology is shared with adhesive domains from functionally diverse receptors such as MAM domains, ephrin receptor ligand binding domains and a number of carbohydrate binding modules. Possible functions of K2 were investigated. K2 induced haemolysis of erythrocytes in a dose-dependent manner that was augmented by the blocking of anion transport. Further, cysteine-activated arginine gingipain RgpB, which degrades glycophorin A, sensitized erythrocytes to the haemolytic effect of K2. Cleaved K2, similar to that found in extracted Kgp, lacks the haemolytic activity indicating that autolysis of Kgp may be a staged process which is artificially enhanced by extraction of the protein. The data indicate a functional role for K2 in the integrated capacity conferred by Kgp to enable the porphyrin auxotroph P. gingivalis to capture essential haem from erythrocytes.

  1. Structure of the caspase-recruitment domain from a zebrafish guanylate-binding protein

    International Nuclear Information System (INIS)

    Jin, Tengchuan; Huang, Mo; Smith, Patrick; Jiang, Jiansheng; Xiao, T. Sam

    2013-01-01

    The crystal structure of the first zebrafish caspase-recruitment domain at 1.47 Å resolution illustrates a six-helix bundle fold similar to that of the human NLRP1 CARD. The caspase-recruitment domain (CARD) mediates homotypic protein–protein interactions that assemble large oligomeric signaling complexes such as the inflammasomes during innate immune responses. Structural studies of the mammalian CARDs demonstrate that their six-helix bundle folds belong to the death-domain superfamily, whereas such studies have not been reported for other organisms. Here, the zebrafish interferon-induced guanylate-binding protein 1 (zIGBP1) was identified that contains an N-terminal GTPase domain and a helical domain typical of the mammalian guanylate-binding proteins, followed by a FIIND domain and a C-terminal CARD similar to the mammalian inflammasome proteins NLRP1 and CARD8. The structure of the zIGBP1 CARD as a fusion with maltose-binding protein was determined at 1.47 Å resolution. This revealed a six-helix bundle fold similar to the NLRP1 CARD structure with the bent α1 helix typical of all known CARD structures. The zIGBP1 CARD surface contains a positively charged patch near its α1 and α4 helices and a negatively charged patch near its α2, α3 and α5 helices, which may mediate its interaction with partner domains. Further studies using binding assays and other analyses will be required in order to address the physiological function(s) of this zebrafish protein

  2. Structural interactions between lipids, water and S1-S4 voltage-sensing domains.

    Science.gov (United States)

    Krepkiy, Dmitriy; Gawrisch, Klaus; Swartz, Kenton J

    2012-11-02

    Membrane proteins serve crucial signaling and transport functions, yet relatively little is known about their structures in membrane environments or how lipids interact with these proteins. For voltage-activated ion channels, X-ray structures suggest that the mobile voltage-sensing S4 helix would be exposed to the membrane, and functional studies reveal that lipid modification can profoundly alter channel activity. Here, we use solid-state NMR to investigate structural interactions of lipids and water with S1-S4 voltage-sensing domains and to explore whether lipids influence the structure of the protein. Our results demonstrate that S1-S4 domains exhibit extensive interactions with lipids and that these domains are heavily hydrated when embedded in a membrane. We also find evidence for preferential interactions of anionic lipids with S1-S4 domains and that these interactions have lifetimes on the timescale of ≤ 10(-3)s. Arg residues within S1-S4 domains are well hydrated and are positioned in close proximity to lipids, exhibiting local interactions with both lipid headgroups and acyl chains. Comparative studies with a positively charged lipid lacking a phosphodiester group reveal that this lipid modification has only modest effects on the structure and hydration of S1-S4 domains. Taken together, our results demonstrate that Arg residues in S1-S4 voltage-sensing domains reside in close proximity to the hydrophobic interior of the membrane yet are well hydrated, a requirement for carrying charge and driving protein motions in response to changes in membrane voltage. Published by Elsevier Ltd.

  3. Crystal Structure of the HEAT Domain from the Pre-mRNA Processing Factor Symplekin

    Energy Technology Data Exchange (ETDEWEB)

    Kennedy, Sarah A.; Frazier, Monica L.; Steiniger, Mindy; Mast, Ann M.; Marzluff, William F.; Redinbo, Matthew R.; (UNC)

    2010-09-30

    The majority of eukaryotic pre-mRNAs are processed by 3'-end cleavage and polyadenylation, although in metazoa the replication-dependent histone mRNAs are processed by 3'-end cleavage but not polyadenylation. The macromolecular complex responsible for processing both canonical and histone pre-mRNAs contains the {approx} 1160-residue protein Symplekin. Secondary-structural prediction algorithms identified putative HEAT domains in the 300 N-terminal residues of all Symplekins of known sequence. The structure and dynamics of this domain were investigated to begin elucidating the role Symplekin plays in mRNA maturation. The crystal structure of the Drosophila melanogaster Symplekin HEAT domain was determined to 2.4 {angstrom} resolution with single-wavelength anomalous dispersion phasing methods. The structure exhibits five canonical HEAT repeats along with an extended 31-amino-acid loop (loop 8) between the fourth and fifth repeat that is conserved within closely related Symplekin sequences. Molecular dynamics simulations of this domain show that the presence of loop 8 dampens correlated and anticorrelated motion in the HEAT domain, therefore providing a neutral surface for potential protein-protein interactions. HEAT domains are often employed for such macromolecular contacts. The Symplekin HEAT region not only structurally aligns with several established scaffolding proteins, but also has been reported to contact proteins essential for regulating 3'-end processing. Together, these data support the conclusion that the Symplekin HEAT domain serves as a scaffold for protein-protein interactions essential to the mRNA maturation process.

  4. Experimental evidence of enhanced ferroelectricity in Ca doped BiFeO{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Costa, L.V.; Deus, R.C. [Universidade Estadual Paulista, UNESP, Faculdade de Engenharia de Guaratinguetá, Av. Dr. Ariberto Pereira da Cunha, 333, Bairro Portal das Colinas, CEP 12516-410 Guaratinguetá, SP (Brazil); Foschini, C.R.; Longo, E. [Universidade Estadual Paulista, UNESP, Faculdade de Engenharia de Bauru, Dept. de Eng. Mecânica, Av. Eng. Luiz Edmundo C. Coube 14-01, 17033-360 Bauru, SP (Brazil); Cilense, M. [Universidade Estadual Paulista, UNESP, Instituto de Química – Laboratório Interdisciplinar em Cerâmica (LIEC), Rua Professor Francisco Degni s/n, 14800-90 Araraquara, SP (Brazil); Simões, A.Z., E-mail: alezipo@yahoo.com [Universidade Estadual Paulista, UNESP, Faculdade de Engenharia de Guaratinguetá, Av. Dr. Ariberto Pereira da Cunha, 333, Bairro Portal das Colinas, CEP 12516-410 Guaratinguetá, SP (Brazil)

    2014-04-01

    Calcium (Ca)-doped bismuth ferrite (BiFeO{sub 3}) thin films prepared by using the polymeric precursor method (PPM) were characterized by X-ray diffraction (XRD), field emission gun scanning electron microscopy (FEG-SEM), transmission electron microscopy (TEM), polarization and piezoelectric measurements. Structural studies by XRD and TEM reveal the co-existence of distorted rhombohedral and tetragonal phases in the highest doped BiFeO{sub 3} where enhanced ferroelectric and piezoelectric properties are produced by internal strain. Resistive switching is observed in BFO and Ca-doped BFO which are affected by the barrier contact and work function of multiferroic materials and Pt electrodes. A high coercive field in the hysteresis loop is observed for the BiFeO{sub 3} film. Piezoelectric properties are improved in the highest Ca-doped sample due to changes in the crystal structure of BFO for a primitive cubic perovskite lattice with four-fold symmetry and a large tetragonal distortion within the crystal domain. This observation introduces magnetoelectronics at room temperature by combining electronic conduction with electric and magnetic degrees of freedom which are already present in the multiferroic BiFeO{sub 3}. - Highlights: • Ca doped BiFeO{sub 3} thin films were obtained by the polymeric precursor method. • Co-existence of distorted rhombohedral and tetragonal phases are evident. • Enhanced ferroelectric and piezoelectric properties are produced by the internal strain in the Ca doped BiFeO{sub 3} film.

  5. Ferroelectric and magnetic properties in high-pressure synthesized BiFeO3 compound

    International Nuclear Information System (INIS)

    Zhai, L.; Shi, Y.G.; Gao, J.L.; Tang, S.L.; Du, Y.W.

    2011-01-01

    Highlights: → A high-density polycrystalline BiFeO 3 compound was synthesized by high-pressure annealing method. → The sample showed weak ferromagnetic at room temperature, which could be attributed to the lattice distortion induced by the high-pressure annealing. → Irregular domains were observed on the surface of the sample by piezoresponse force microscopy, and a typical hysteresis loop was obtained. - Abstract: High-density polycrystalline BiFeO 3 compound was synthesized by high-pressure annealing. Measurements of crystal structure, magnetic, and ferroelectric properties were made on the sample. It was found that the sample was almost single phase with a distorted R3c structure. The results of the X-ray photoelectron spectra demonstrate that the oxidation state of Fe in the sample is Fe 3+ . The room-temperature field dependence of magnetization for BiFeO 3 exhibits a hysteretic behavior. The observed weak ferromagnetism could be ascribed to the lattice distortion induced by the high-pressure annealing. In addition, the local ferroelectric performance of the sample was studied by piezoresponse force microscopy.

  6. Structures of BIR domains from human NAIP and cIAP2.

    Science.gov (United States)

    Herman, Maria Dolores; Moche, Martin; Flodin, Susanne; Welin, Martin; Trésaugues, Lionel; Johansson, Ida; Nilsson, Martina; Nordlund, Pär; Nyman, Tomas

    2009-11-01

    The inhibitor of apoptosis (IAP) family of proteins contains key modulators of apoptosis and inflammation that interact with caspases through baculovirus IAP-repeat (BIR) domains. Overexpression of IAP proteins frequently occurs in cancer cells, thus counteracting the activated apoptotic program. The IAP proteins have therefore emerged as promising targets for cancer therapy. In this work, X-ray crystallography was used to determine the first structures of BIR domains from human NAIP and cIAP2. Both structures harbour an N-terminal tetrapeptide in the conserved peptide-binding groove. The structures reveal that these two proteins bind the tetrapeptides in a similar mode as do other BIR domains. Detailed interactions are described for the P1'-P4' side chains of the peptide, providing a structural basis for peptide-specific recognition. An arginine side chain in the P3' position reveals favourable interactions with its hydrophobic moiety in the binding pocket, while hydrophobic residues in the P2' and P4' pockets make similar interactions to those seen in other BIR domain-peptide complexes. The structures also reveal how a serine in the P1' position is accommodated in the binding pockets of NAIP and cIAP2. In addition to shedding light on the specificity determinants of these two proteins, the structures should now also provide a framework for future structure-based work targeting these proteins.

  7. Variability and conservation of structural domains in divide-and-conquer approaches

    Energy Technology Data Exchange (ETDEWEB)

    Wiegand, Thomas [ETH Zurich, Physical Chemistry (Switzerland); Gardiennet, Carole [CNRS, Université de Lorraine, CRM2, UMR 7036 (France); Cadalbert, Riccardo [ETH Zurich, Physical Chemistry (Switzerland); Lacabanne, Denis; Kunert, Britta; Terradot, Laurent, E-mail: laurent.terradot@ibcp.fr; Böckmann, Anja, E-mail: a.bockmann@ibcp.fr [Université de Lyon, Institut de Biologie et Chimie des Protéines, Bases Moléculaires et Structurales des Systèmes Infectieux, Labex Ecofect, UMR 5086 CNRS (France); Meier, Beat H., E-mail: beme@ethz.ch [ETH Zurich, Physical Chemistry (Switzerland)

    2016-06-15

    The use of protein building blocks for the structure determination of multidomain proteins and protein–protein complexes, also known as the “divide and conquer” approach, is an important strategy for obtaining protein structures. Atomic-resolution X-ray or NMR data of the individual domains are combined with lower-resolution electron microscopy maps or X-ray data of the full-length protein or the protein complex. Doing so, it is often assumed that the individual domain structures remain invariant in the context of the superstructure. In this work, we show the potentials and limitations of NMR to validate this approach at the example of the dodecameric DnaB helicase from Helicobacter pylori. We investigate how sequentially assigned spectra, as well as unassigned spectral fingerprints can be used to indicate the conservation of individual domains, and also to highlight conformational differences.

  8. Control systems using modal domain optical fiber sensors for smart structure applications

    Science.gov (United States)

    Lindner, Douglas K.; Reichard, Karl M.

    1991-01-01

    Recently, a new class of sensors has emerged for structural control which respond to environmental changes over a significant gauge length; these sensors are called distributed-effect sensors. These sensors can be fabricated with spatially varying sensitivity to the distributed measurand, and can be configured to measure a variety of structural parameters which can not be measured directly using point sensors. Examples of distributed-effect sensors include piezoelectric film, holographic sensors, and modal domain optical fiber sensors. Optical fiber sensors are particularly attractive for smart structure applications because they are flexible, have low mass, and can easily be embedded directly into materials. In this paper we describe the implementation of weighted modal domain optical fiber sensors. The mathematical model of the modal domain optical fiber sensor model is described and used to derive an expression for the sensor sensitivity. The effects of parameter variations on the sensor sensitivity are demonstrated to illustrate methods of spatially varying the sensor sensitivity.

  9. Mutations in actin used for structural studies partially disrupt β-thymosin/WH2 domains interaction.

    Science.gov (United States)

    Deville, Célia; Girard-Blanc, Christine; Assrir, Nadine; Nhiri, Naïma; Jacquet, Eric; Bontems, François; Renault, Louis; Petres, Stéphane; van Heijenoort, Carine

    2016-10-01

    Understanding the structural basis of actin cytoskeleton remodeling requires stabilization of actin monomers, oligomers, and filaments in complex with partner proteins, using various biochemical strategies. Here, we report a dramatic destabilization of the dynamic interaction with a model β-thymosin/WH2 domain induced by mutations in actin. This result underlines that mutant actins should be used with prudence to characterize interactions with intrinsically disordered partners as destabilization of dynamic interactions, although identifiable by NMR, may be invisible to other structural techniques. It also highlights how both β-thymosin/WH2 domains and actin tune local structure and dynamics in regulatory processes involving intrinsically disordered domains. © 2016 Federation of European Biochemical Societies.

  10. A new scaling approach for the mesoscale simulation of magnetic domain structures using Monte Carlo simulations

    Energy Technology Data Exchange (ETDEWEB)

    Radhakrishnan, B., E-mail: radhakrishnb@ornl.gov; Eisenbach, M.; Burress, T.A.

    2017-06-15

    Highlights: • Developed new scaling technique for dipole–dipole interaction energy. • Developed new scaling technique for exchange interaction energy. • Used scaling laws to extend atomistic simulations to micrometer length scale. • Demonstrated transition from mono-domain to vortex magnetic structure. • Simulated domain wall width and transition length scale agree with experiments. - Abstract: A new scaling approach has been proposed for the spin exchange and the dipole–dipole interaction energy as a function of the system size. The computed scaling laws are used in atomistic Monte Carlo simulations of magnetic moment evolution to predict the transition from single domain to a vortex structure as the system size increases. The width of a 180° – domain wall extracted from the simulated structures is in close agreement with experimentally values for an F–Si alloy. The transition size from a single domain to a vortex structure is also in close agreement with theoretically predicted and experimentally measured values for Fe.

  11. On the equilibrium configuration of the Kittel type domain structure with Bloch walls, l80deg

    International Nuclear Information System (INIS)

    Gavrila, H.

    1975-01-01

    Using a phenomenologic method for appreciating different components of the free energy, the equilibrium configuration of the Kittel-type domain structure with Bloch walls is obtained. By improving the known methods, more accurate magnetostatic energy calculations are reported. In order to determine the equilibrium structure, the total free energy is minimized with respect to two system parameters: the Bloch wall width and the structure half-period. (author)

  12. Fibonacci Sequences Quasiperiodic A5B6C7 Ferroelectric Based Photonic Crystal: FDTD analysis

    Directory of Open Access Journals (Sweden)

    S. Simsek

    2017-10-01

    Full Text Available In this study, we present an investigation of the optical properties and band structures for the conventional and Fibonacci photonic crystals (PCs based on some A5B6C7 ferroelectrics (SbSBr and BiTeCl. Here, we use one dimensional SbSBr and BiTeCl based layers in air background. We have theoretically calculated the photonic band structure and transmission spectra of SbSBr and BiTeCl based PC superlattices. The position of minima in the transmission spectrum correlates with the gaps obtained in the calculation. The intensity of the transmission depths is more intense in the case of higher refractive index contrast between the layers. In our simulation, we employed the finite-difference time domain  technique and the plane wave expansion method, which implies the solution of Maxwell equations with centered finite-difference expressions for the space and time derivatives.

  13. Structural Mechanism of the Oxygenase JMJD6 Recognition by the Extraterminal (ET) Domain of BRD4.

    Science.gov (United States)

    Konuma, Tsuyoshi; Yu, Di; Zhao, Chengcheng; Ju, Ying; Sharma, Rajal; Ren, Chunyan; Zhang, Qiang; Zhou, Ming-Ming; Zeng, Lei

    2017-11-24

    Jumonji domain-containing protein 6 (JMJD6) is a member of the Jumonji C family of Fe(II) and 2-oxoglutarate (2OG) dependent oxygenases. It possesses unique bi-functional oxygenase activities, acting as both an arginine demethylase and a lysyl-hydroxylase. JMJD6 has been reported to be over-expressed in oral, breast, lung, and colon cancers and plays important roles in regulation of transcription through interactions with transcription regulator BRD4, histones, U2AF65, Luc7L3, and SRSF11. Here, we report a structural mechanism revealed by NMR of JMJD6 recognition by the extraterminal (ET) domain of BRD4 in that a JMJD6 peptide (Lys84-Asn96) adapts an α-helix when bound to the ET domain. This intermolecular recognition is established through JMJD6 interactions with the conserved hydrophobic core of the ET domain, and reinforced by electrostatic interactions of JMJD6 with residues in the inter-helical α1-α2 loop of the ET domain. Notably, this mode of ligand recognition is different from that of ET domain recognition of NSD3, LANA of herpesvirus, and integrase of MLV, which involves formation of an intermolecular amphipathic two- or three- strand antiparallel β sheet. Furthermore, we demonstrate that the association between the BRD4 ET domain and JMJD6 likely requires a protein conformational change induced by single-stranded RNA binding.

  14. Domain size polydispersity effects on the structural and dynamical properties in lipid monolayers with phase coexistence

    Science.gov (United States)

    Rufeil-Fiori, Elena; Banchio, Adolfo J.

    Lipid monolayers with phase coexistence are a frequently used model for lipid membranes. In these systems, domains of the liquid-condensed phase always present size polydispersity. However, very few theoretical works consider size distribution effects on the monolayer properties. Because of the difference in surface densities, domains have excess dipolar density with respect to the surrounding liquid expanded phase, originating a dipolar inter-domain interaction. This interaction depends on the domain area, and hence the presence of a domain size distribution is associated with interaction polydispersity. Inter-domain interactions are fundamental to understanding the structure and dynamics of the monolayer. For this reason, it is expected that polydispersity significantly alters monolayer properties. By means of Brownian dynamics simulations, we study the radial distribution function (RDF), the average mean square displacement and the average time-dependent self-diffusion coefficient, D(t), of lipid monolayers with normal distributed size domains. It was found that polydispersity strongly affects the value of the interaction strength obtained, which is greatly underestimated if polydispersity is not considered. However, within a certain range of parameters, the RDF obtained from a polydisperse model can be well approximated by that of a monodisperse model, suitably fitting the interaction strength, even for 40% polydispersities. For small interaction strengths or small polydispersities, the polydisperse systems obtained from fitting the experimental RDF have an average mean square displacement and D(t) in good agreement with that of the monodisperse system.

  15. Structure-Based Sequence Alignment of the Transmembrane Domains of All Human GPCRs: Phylogenetic, Structural and Functional Implications

    Science.gov (United States)

    Cvicek, Vaclav; Goddard, William A.; Abrol, Ravinder

    2016-01-01

    The understanding of G-protein coupled receptors (GPCRs) is undergoing a revolution due to increased information about their signaling and the experimental determination of structures for more than 25 receptors. The availability of at least one receptor structure for each of the GPCR classes, well separated in sequence space, enables an integrated superfamily-wide analysis to identify signatures involving the role of conserved residues, conserved contacts, and downstream signaling in the context of receptor structures. In this study, we align the transmembrane (TM) domains of all experimental GPCR structures to maximize the conserved inter-helical contacts. The resulting superfamily-wide GpcR Sequence-Structure (GRoSS) alignment of the TM domains for all human GPCR sequences is sufficient to generate a phylogenetic tree that correctly distinguishes all different GPCR classes, suggesting that the class-level differences in the GPCR superfamily are encoded at least partly in the TM domains. The inter-helical contacts conserved across all GPCR classes describe the evolutionarily conserved GPCR structural fold. The corresponding structural alignment of the inactive and active conformations, available for a few GPCRs, identifies activation hot-spot residues in the TM domains that get rewired upon activation. Many GPCR mutations, known to alter receptor signaling and cause disease, are located at these conserved contact and activation hot-spot residue positions. The GRoSS alignment places the chemosensory receptor subfamilies for bitter taste (TAS2R) and pheromones (Vomeronasal, VN1R) in the rhodopsin family, known to contain the chemosensory olfactory receptor subfamily. The GRoSS alignment also enables the quantification of the structural variability in the TM regions of experimental structures, useful for homology modeling and structure prediction of receptors. Furthermore, this alignment identifies structurally and functionally important residues in all human GPCRs

  16. Structural analysis and dimerization profile of the SCAN domain of the pluripotency factor Zfp206

    KAUST Repository

    Liang, Yu; Huimei Hong, Felicia; Ganesan, Pugalenthi; Jiang, Sizun; Jauch, Ralf; Stanton, Lawrence W.; Kolatkar, Prasanna R.

    2012-01-01

    Zfp206 (also named as Zscan10) belongs to the subfamily of C2H2 zinc finger transcription factors, which is characterized by the N-terminal SCAN domain. The SCAN domain mediates self-association and association between the members of SCAN family transcription factors, but the structural basis and selectivity determinants for complex formation is unknown. Zfp206 is important for maintaining the pluripotency of embryonic stem cells presumably by combinatorial assembly of itself or other SCAN family members on enhancer regions. To gain insights into the folding topology and selectivity determinants for SCAN dimerization, we solved the 1.85 crystal structure of the SCAN domain of Zfp206. In vitro binding studies using a panel of 20 SCAN proteins indicate that the SCAN domain Zfp206 can selectively associate with other members of SCAN family transcription factors. Deletion mutations showed that the N-terminal helix 1 is critical for heterodimerization. Double mutations and multiple mutations based on the Zfp206SCAN-Zfp110SCAN model suggested that domain swapped topology is a possible preference for Zfp206SCAN-Zfp110SCAN heterodimer. Together, we demonstrate that the Zfp206SCAN constitutes a protein module that enables C2H2 transcription factor dimerization in a highly selective manner using a domain-swapped interface architecture and identify novel partners for Zfp206 during embryonal development. 2012 The Author(s).

  17. Structural analysis and dimerization profile of the SCAN domain of the pluripotency factor Zfp206

    KAUST Repository

    Liang, Yu

    2012-06-26

    Zfp206 (also named as Zscan10) belongs to the subfamily of C2H2 zinc finger transcription factors, which is characterized by the N-terminal SCAN domain. The SCAN domain mediates self-association and association between the members of SCAN family transcription factors, but the structural basis and selectivity determinants for complex formation is unknown. Zfp206 is important for maintaining the pluripotency of embryonic stem cells presumably by combinatorial assembly of itself or other SCAN family members on enhancer regions. To gain insights into the folding topology and selectivity determinants for SCAN dimerization, we solved the 1.85 crystal structure of the SCAN domain of Zfp206. In vitro binding studies using a panel of 20 SCAN proteins indicate that the SCAN domain Zfp206 can selectively associate with other members of SCAN family transcription factors. Deletion mutations showed that the N-terminal helix 1 is critical for heterodimerization. Double mutations and multiple mutations based on the Zfp206SCAN-Zfp110SCAN model suggested that domain swapped topology is a possible preference for Zfp206SCAN-Zfp110SCAN heterodimer. Together, we demonstrate that the Zfp206SCAN constitutes a protein module that enables C2H2 transcription factor dimerization in a highly selective manner using a domain-swapped interface architecture and identify novel partners for Zfp206 during embryonal development. 2012 The Author(s).

  18. Structural analysis of poly-SUMO chain recognition by the RNF4-SIMs domain.

    Science.gov (United States)

    Kung, Camy C-H; Naik, Mandar T; Wang, Szu-Huan; Shih, Hsiu-Ming; Chang, Che-Chang; Lin, Li-Ying; Chen, Chia-Lin; Ma, Che; Chang, Chi-Fon; Huang, Tai-Huang

    2014-08-15

    The E3 ubiquitin ligase RNF4 (RING finger protein 4) contains four tandem SIM [SUMO (small ubiquitin-like modifier)-interaction motif] repeats for selective interaction with poly-SUMO-modified proteins, which it targets for degradation. We employed a multi-faceted approach to characterize the structure of the RNF4-SIMs domain and the tetra-SUMO2 chain to elucidate the interaction between them. In solution, the SIM domain was intrinsically disordered and the linkers of the tetra-SUMO2 were highly flexible. Individual SIMs of the RNF4-SIMs domains bind to SUMO2 in the groove between the β2-strand and the α1-helix parallel to the β2-strand. SIM2 and SIM3 bound to SUMO with a high affinity and together constituted the recognition module necessary for SUMO binding. SIM4 alone bound to SUMO with low affinity; however, its contribution to tetra-SUMO2 binding avidity is comparable with that of SIM3 when in the RNF4-SIMs domain. The SAXS data of the tetra-SUMO2-RNF4-SIMs domain complex indicate that it exists as an ordered structure. The HADDOCK model showed that the tandem RNF4-SIMs domain bound antiparallel to the tetra-SUMO2 chain orientation and wrapped around the SUMO protamers in a superhelical turn without imposing steric hindrance on either molecule.

  19. Structures of BIR domains from human NAIP and cIAP2

    International Nuclear Information System (INIS)

    Herman, Maria Dolores; Moche, Martin; Flodin, Susanne; Welin, Martin; Trésaugues, Lionel; Johansson, Ida; Nilsson, Martina; Nordlund, Pär; Nyman, Tomas

    2009-01-01

    The crystal structures of the human NAIP BIR2 and cIAP2 BIR3 domains have been determined. Both BIR domains harbors an amino-terminal tetrapeptide in its peptide-binding groove. The inhibitor of apoptosis (IAP) family of proteins contains key modulators of apoptosis and inflammation that interact with caspases through baculovirus IAP-repeat (BIR) domains. Overexpression of IAP proteins frequently occurs in cancer cells, thus counteracting the activated apoptotic program. The IAP proteins have therefore emerged as promising targets for cancer therapy. In this work, X-ray crystallography was used to determine the first structures of BIR domains from human NAIP and cIAP2. Both structures harbour an N-terminal tetrapeptide in the conserved peptide-binding groove. The structures reveal that these two proteins bind the tetrapeptides in a similar mode as do other BIR domains. Detailed interactions are described for the P1′–P4′ side chains of the peptide, providing a structural basis for peptide-specific recognition. An arginine side chain in the P3′ position reveals favourable interactions with its hydrophobic moiety in the binding pocket, while hydrophobic residues in the P2′ and P4′ pockets make similar interactions to those seen in other BIR domain–peptide complexes. The structures also reveal how a serine in the P1′ position is accommodated in the binding pockets of NAIP and cIAP2. In addition to shedding light on the specificity determinants of these two proteins, the structures should now also provide a framework for future structure-based work targeting these proteins

  20. The application of nonlinear dynamics in the study of ferroelectric materials

    International Nuclear Information System (INIS)

    Blochwitz, S.; Habel, R.; Diestelhorst, M.; Beige, H.

    1996-01-01

    It is well known that the structural phase transitions in ferroelectric materials are connected with strong nonlinear properties. So we can expect all features of nonlinear dynamical systems such as period-doubling cascades and chaos in a dynamical system that contains ferroelectric materials. Therefore we can apply nonlinear dynamics to these ferroelectric materials and we are doing it in two directions: (i) We study the structural phase transitions by analyzing the large signal behaviour with means of nonlinear dynamics. (ii) We control the chaotic behaviour of the system with the method proposed by Ott, Grebogi and Yorke. (authors)

  1. Dynamic fatigue on repolarization of lead zirconate-titanate base ceramics with various ferroelectric hardness

    International Nuclear Information System (INIS)

    Gavrilyachenko, V.G.; Semenchev, A.F.; Sklyarova, E.N.; Kuznetsova, E.M.

    2006-01-01

    One studied experimentally changes of the residual polarization in lead zirconate-titanate base ceramics with various ferroelectric hardness under the effect of a strong varying field. The twinning and untwinning of crystallites accompanying repolarization is assumed to be the basic mechanism of propagation of the crystalline structure defects governing the fatigue rates of the ferroelectric-soft ceramics. In ferroelectric-hard ceramics crystallites the stable configurations of mechanical twins, the result of the secondary twinning, are formed when the hysteresis loop is formed. At repolarization in the mentioned structures one observes no motion of the twin boundaries, and the fatigue rates are low ones [ru

  2. Structural and Electrical Characteristics of Metal-Ferroelectric Pb1.1(Zr0.40Ti0.60O3-Insulator (ZnO-Silicon Capacitors for Nonvolatile Applications

    Directory of Open Access Journals (Sweden)

    S. R. Krishnamoorthi

    2013-01-01

    Full Text Available In this work metal-ferroelectric-insulator-semiconductor (MFIS thin-film structures using Pb1.1Zr0.40Ti0.60O3 (PZT as the ferroelectric layer and zinc oxide (ZnO as the insulator layer were fabricated on n-type (100 Si substrate. Pb1.1Zr0.40Ti0.60O3 and ZnO thin films were prepared on Si by the sol-gel route and thermal deposition method, respectively. On the optimized PZT (140 nm and ZnO (40 nm films were examined by scanning electron microscope (SEM. From AFM data the root mean square (r.m.s. roughness of the film surface is 13.11 nm. The leakage current density of ZnO/n-Si (MIS structure was as low as 1.8 × 10−8 A/cm2 at 2.5 V. The capacitance versus voltage (C-V characteristics of the annealed ZnO/Si (MIS diode indicated the good interface properties and no hysteresis was observed. Au/PZT (140 nm/ZnO (40 nm/Si (100 leakage-current density was about 5.7 × 10−8 A/cm2 at positive bias voltage of 3 V. The large memory window width in C-V (capacitance-voltage curve of Au/PZT/ZnO/Si capacitor was about 2.9 V under ±12 V which thus possibly enables nonvolatile applications. The memory window as a function of temperature was also discussed.

  3. Non-Resonant Magnetoelectric Energy Harvesting Utilizing Phase Transformation in Relaxor Ferroelectric Single Crystals

    Directory of Open Access Journals (Sweden)

    Peter Finkel

    2015-12-01

    Full Text Available Recent advances in phase transition transduction enabled the design of a non-resonant broadband mechanical energy harvester that is capable of delivering an energy density per cycle up to two orders of magnitude larger than resonant cantilever piezoelectric type generators. This was achieved in a [011] oriented and poled domain engineered relaxor ferroelectric single crystal, mechanically biased to a state just below the ferroelectric rhombohedral (FR-ferroelectric orthorhombic (FO phase transformation. Therefore, a small variation in an input parameter, e.g., electrical, mechanical, or thermal will generate a large output due to the significant polarization change associated with the transition. This idea was extended in the present work to design a non-resonant, multi-domain magnetoelectric composite hybrid harvester comprised of highly magnetostrictive alloy, [Fe81.4Ga18.6 (Galfenol or TbxDy1-xFe2 (Terfenol-D], and lead indium niobate–lead magnesium niobate–lead titanate (PIN-PMN-PT domain engineered relaxor ferroelectric single crystal. A small magnetic field applied to the coupled device causes the magnetostrictive element to expand, and the resulting stress forces the phase change in the relaxor ferroelectric single crystal. We have demonstrated high energy conversion in this magnetoelectric device by triggering the FR-FO transition in the single crystal by a small ac magnetic field in a broad frequency range that is important for multi-domain hybrid energy harvesting devices.

  4. Shapes of isolated domains and field induced evolution of regular and random 2D domain structures in LiNbO3 and LiTaO3

    International Nuclear Information System (INIS)

    Chernykh, A.; Shur, V.; Nikolaeva, E.; Shishkin, E.; Shur, A.; Terabe, K.; Kurimura, S.; Kitamura, K.; Gallo, K.

    2005-01-01

    The variety of the shapes of isolated domains, revealed in congruent and stoichiometric LiTaO 3 and LiNbO 3 by chemical etching and visualized by optical and scanning probe microscopy, was obtained by computer simulation. The kinetic nature of the domain shape was clearly demonstrated. The kinetics of domain structure with the dominance of the growth of the steps formed at the domain walls as a result of domain merging was investigated experimentally in slightly distorted artificial regular two-dimensional (2D) hexagonal domain structure and random natural one. The artificial structure has been realized in congruent LiNbO 3 by 2D electrode pattern produced by photolithography. The polarization reversal in congruent LiTaO 3 was investigated as an example of natural domain growth limited by merging. The switching process defined by domain merging was studied by computer simulation. The crucial dependence of the switching kinetics on the nuclei concentration has been revealed

  5. Stabilization of ferroelectric properties in Hafnia and Zirconia

    Energy Technology Data Exchange (ETDEWEB)

    Kersch, Alfred [Univ. of Applied Sciences Munich (Germany). Modeling and Simulation Lab

    2016-11-01

    Experiments by our collaborators show that not only earth alkaline metals but also lanthanides and boron group metals are capable of inducing ferroelectric behavior in Hafnia. These dopants are known to form more complex defect structures due to their 3-valent nature. This requires further simulation. In some cases computationally more expensive density functionals will be required.

  6. Characterization of current transport in ferroelectric polymer devices

    KAUST Repository

    Hanna, Amir; Bhansali, Unnat Sampatraj; Khan, Yasser; Alshareef, Husam N.

    2014-01-01

    We report the charge injection characteristics in poly(vinylidene fluoride-trifluoroethylene), P(VDF-TrFE), as a function of electrode material in metal/ferroelectric/metal device structures. Symmetric and asymmetric devices with Al, Ag, Au and Pt

  7. High-resolution NMR structures of the domains of Saccharomyces cerevisiae Tho1

    International Nuclear Information System (INIS)

    Jacobsen, Julian O. B.; Allen, Mark D.; Freund, Stefan M. V.; Bycroft, Mark

    2016-01-01

    In this study, high-resolution structures of both the N-terminal DNA-binding SAP domain and the C-terminal RNA-binding domain of S. cerevisiae Tho1 have been determined. THO is a multi-protein complex involved in the formation of messenger ribonuclear particles (mRNPs) by coupling transcription with mRNA processing and export. THO is thought to be formed from five subunits, Tho2p, Hpr1p, Tex1p, Mft1p and Thp2p, and recent work has determined a low-resolution structure of the complex [Poulsen et al. (2014 ▸), PLoS One, 9, e103470]. A number of additional proteins are thought to be involved in the formation of mRNP in yeast, including Tho1, which has been shown to bind RNA in vitro and is recruited to actively transcribed chromatin in vivo in a THO-complex and RNA-dependent manner. Tho1 is known to contain a SAP domain at the N-terminus, but the ability to suppress the expression defects of the hpr1Δ mutant of THO was shown to reside in the RNA-binding C-terminal region. In this study, high-resolution structures of both the N-terminal DNA-binding SAP domain and C-terminal RNA-binding domain have been determined

  8. High-resolution NMR structures of the domains of Saccharomyces cerevisiae Tho1

    Energy Technology Data Exchange (ETDEWEB)

    Jacobsen, Julian O. B.; Allen, Mark D.; Freund, Stefan M. V.; Bycroft, Mark, E-mail: mxb@mrc-lmb.cam.ac.uk [MRC Laboratory of Molecular Biology, Hills Road, Cambridge CB2 0QH (United Kingdom)

    2016-05-23

    In this study, high-resolution structures of both the N-terminal DNA-binding SAP domain and the C-terminal RNA-binding domain of S. cerevisiae Tho1 have been determined. THO is a multi-protein complex involved in the formation of messenger ribonuclear particles (mRNPs) by coupling transcription with mRNA processing and export. THO is thought to be formed from five subunits, Tho2p, Hpr1p, Tex1p, Mft1p and Thp2p, and recent work has determined a low-resolution structure of the complex [Poulsen et al. (2014 ▸), PLoS One, 9, e103470]. A number of additional proteins are thought to be involved in the formation of mRNP in yeast, including Tho1, which has been shown to bind RNA in vitro and is recruited to actively transcribed chromatin in vivo in a THO-complex and RNA-dependent manner. Tho1 is known to contain a SAP domain at the N-terminus, but the ability to suppress the expression defects of the hpr1Δ mutant of THO was shown to reside in the RNA-binding C-terminal region. In this study, high-resolution structures of both the N-terminal DNA-binding SAP domain and C-terminal RNA-binding domain have been determined.

  9. Structure of the human histone chaperone FACT Spt16 N-terminal domain

    Energy Technology Data Exchange (ETDEWEB)

    Marcianò, G.; Huang, D. T., E-mail: d.huang@beatson.gla.ac.uk [Cancer Research UK Beatson Institute, Garscube Estate, Switchback Road, Glasgow G61 1BD, Scotland (United Kingdom)

    2016-01-22

    The Spt16–SSRP1 heterodimer is a histone chaperone that plays an important role in regulating chromatin assembly. Here, a crystal structure of the N-terminal domain of human Spt16 is presented and it is shown that this domain may contribute to histone binding. The histone chaperone FACT plays an important role in facilitating nucleosome assembly and disassembly during transcription. FACT is a heterodimeric complex consisting of Spt16 and SSRP1. The N-terminal domain of Spt16 resembles an inactive aminopeptidase. How this domain contributes to the histone chaperone activity of FACT remains elusive. Here, the crystal structure of the N-terminal domain (NTD) of human Spt16 is reported at a resolution of 1.84 Å. The structure adopts an aminopeptidase-like fold similar to those of the Saccharomyces cerevisiae and Schizosaccharomyces pombe Spt16 NTDs. Isothermal titration calorimetry analyses show that human Spt16 NTD binds histones H3/H4 with low-micromolar affinity, suggesting that Spt16 NTD may contribute to histone binding in the FACT complex. Surface-residue conservation and electrostatic analysis reveal a conserved acidic patch that may be involved in histone binding.

  10. Effect of the SH3-SH2 domain linker sequence on the structure of Hck kinase.

    Science.gov (United States)

    Meiselbach, Heike; Sticht, Heinrich

    2011-08-01

    The coordination of activity in biological systems requires the existence of different signal transduction pathways that interact with one another and must be precisely regulated. The Src-family tyrosine kinases, which are found in many signaling pathways, differ in their physiological function despite their high overall structural similarity. In this context, the differences in the SH3-SH2 domain linkers might play a role for differential regulation, but the structural consequences of linker sequence remain poorly understood. We have therefore performed comparative molecular dynamics simulations of wildtype Hck and of a mutant Hck in which the SH3-SH2 domain linker is replaced by the corresponding sequence from the homologous kinase Lck. These simulations reveal that linker replacement not only affects the orientation of the SH3 domain itself, but also leads to an alternative conformation of the activation segment in the Hck kinase domain. The sequence of the SH3-SH2 domain linker thus exerts a remote effect on the active site geometry and might therefore play a role in modulating the structure of the inactive kinase or in fine-tuning the activation process itself.

  11. Structure of the human histone chaperone FACT Spt16 N-terminal domain

    International Nuclear Information System (INIS)

    Marcianò, G.; Huang, D. T.

    2016-01-01

    The Spt16–SSRP1 heterodimer is a histone chaperone that plays an important role in regulating chromatin assembly. Here, a crystal structure of the N-terminal domain of human Spt16 is presented and it is shown that this domain may contribute to histone binding. The histone chaperone FACT plays an important role in facilitating nucleosome assembly and disassembly during transcription. FACT is a heterodimeric complex consisting of Spt16 and SSRP1. The N-terminal domain of Spt16 resembles an inactive aminopeptidase. How this domain contributes to the histone chaperone activity of FACT remains elusive. Here, the crystal structure of the N-terminal domain (NTD) of human Spt16 is reported at a resolution of 1.84 Å. The structure adopts an aminopeptidase-like fold similar to those of the Saccharomyces cerevisiae and Schizosaccharomyces pombe Spt16 NTDs. Isothermal titration calorimetry analyses show that human Spt16 NTD binds histones H3/H4 with low-micromolar affinity, suggesting that Spt16 NTD may contribute to histone binding in the FACT complex. Surface-residue conservation and electrostatic analysis reveal a conserved acidic patch that may be involved in histone binding

  12. Eukaryotic ribonucleases P/MRP: the crystal structure of the P3 domain.

    Science.gov (United States)

    Perederina, Anna; Esakova, Olga; Quan, Chao; Khanova, Elena; Krasilnikov, Andrey S

    2010-02-17

    Ribonuclease (RNase) P is a site-specific endoribonuclease found in all kingdoms of life. Typical RNase P consists of a catalytic RNA component and a protein moiety. In the eukaryotes, the RNase P lineage has split into two, giving rise to a closely related enzyme, RNase MRP, which has similar components but has evolved to have different specificities. The eukaryotic RNases P/MRP have acquired an essential helix-loop-helix protein-binding RNA domain P3 that has an important function in eukaryotic enzymes and distinguishes them from bacterial and archaeal RNases P. Here, we present a crystal structure of the P3 RNA domain from Saccharomyces cerevisiae RNase MRP in a complex with RNase P/MRP proteins Pop6 and Pop7 solved to 2.7 A. The structure suggests similar structural organization of the P3 RNA domains in RNases P/MRP and possible functions of the P3 domains and proteins bound to them in the stabilization of the holoenzymes' structures as well as in interactions with substrates. It provides the first insight into the structural organization of the eukaryotic enzymes of the RNase P/MRP family.

  13. The structure and dynamics of tandem WW domains in a negative regulator of notch signaling, Suppressor of deltex.

    Science.gov (United States)

    Fedoroff, Oleg Y; Townson, Sharon A; Golovanov, Alexander P; Baron, Martin; Avis, Johanna M

    2004-08-13

    WW domains mediate protein recognition, usually though binding to proline-rich sequences. In many proteins, WW domains occur in tandem arrays. Whether or how individual domains within such arrays cooperate to recognize biological partners is, as yet, poorly characterized. An important question is whether functional diversity of different WW domain proteins is reflected in the structural organization and ligand interaction mechanisms of their multiple domains. We have determined the solution structure and dynamics of a pair of WW domains (WW3-4) from a Drosophila Nedd4 family protein called Suppressor of deltex (Su(dx)), a regulator of Notch receptor signaling. We find that the binding of a type 1 PPPY ligand to WW3 stabilizes the structure with effects propagating to the WW4 domain, a domain that is not active for ligand binding. Both WW domains adopt the characteristic triple-stranded beta-sheet structure, and significantly, this is the first example of a WW domain structure to include a domain (WW4) lacking the second conserved Trp (replaced by Phe). The domains are connected by a flexible linker, which allows a hinge-like motion of domains that may be important for the recognition of functionally relevant targets. Our results contrast markedly with those of the only previously determined three-dimensional structure of tandem WW domains, that of the rigidly oriented WW domain pair from the RNA-splicing factor Prp40. Our data illustrate that arrays of WW domains can exhibit a variety of higher order structures and ligand interaction mechanisms.

  14. Advantages and Challenges of Relaxor-PbTiO3 Ferroelectric Crystals for Electroacoustic Transducers- A Review

    Science.gov (United States)

    Zhang, Shujun; Li, Fei; Jiang, Xiaoning; Kim, Jinwook; Luo, Jun; Geng, Xuecang

    2014-01-01

    Relaxor-PbTiO3 (PT) based ferroelectric crystals with the perovskite structure have been investigated over the last few decades due to their ultrahigh piezoelectric coefficients (d33 > 1500 pC/N) and electromechanical coupling factors (k33 > 90%), far outperforming state-of-the-art ferroelectric polycrystalline Pb(Zr,Ti)O3 ceramics, and are at the forefront of advanced electroacoustic applications. In this review, the performance merits of relaxor-PT crystals in various electroacoustic devices are presented from a piezoelectric material viewpoint. Opportunities come from not only the ultrahigh properties, specifically coupling and piezoelectric coefficients, but through novel vibration modes and crystallographic/domain engineering. Figure of merits (FOMs) of crystals with various compositions and phases were established for various applications, including medical ultrasonic transducers, underwater transducers, acoustic sensors and tweezers. For each device application, recent developments in relaxor-PT ferroelectric crystals were surveyed and compared with state-of-the-art polycrystalline piezoelectrics, with an emphasis on their strong anisotropic features and crystallographic uniqueness, including engineered domain - property relationships. This review starts with an introduction on electroacoustic transducers and the history of piezoelectric materials. The development of the high performance relaxor-PT single crystals, with a focus on their uniqueness in transducer applications, is then discussed. In the third part, various FOMs of piezoelectric materials for a wide range of ultrasound applications, including diagnostic ultrasound, therapeutic ultrasound, underwater acoustic and passive sensors, tactile sensors and acoustic tweezers, are evaluated to provide a thorough understanding of the materials’ behavior under operational conditions. Structure-property-performance relationships are then established. Finally, the impacts and challenges of relaxor

  15. LOADS INTERACTION DOMAINS METHODOLOGY FOR THE DESIGN OF STEEL GREENHOUSE STRUCTURES

    Directory of Open Access Journals (Sweden)

    Sergio Castellano

    2007-03-01

    Full Text Available Aim of this research is to develop a design methodology which correlates main structural design parameters, whose production is characterised by high levels of standardization, such as the height of gutter or the distance between frames, with actions on the greenhouse. The methodology, based on the use of charts and abacus, permits a clear and a direct interpretation of the structural response to design load combinations and allows the design of structural improvements with the aim of the optimization of the ratio benefits (structural strength/costs. The study of structural interaction domains allowed a clear and a direct interpretation of the structural response to design load combinations. The diagrams highlight not only if the structure fulfils the standard requirements but also the safety levels with respect to design load combinations and allow the structural designer how to operate in order to optimize the structural response with standard requirements achieving the best ratio benefits (structural safety/ costs. The methodology was developed basing on criteria assigned by EN13031 on two different kinds of greenhouse structures: an arched greenhouse with a film plastic covering and a duo pitched roof greenhouse cover with rigid plastic membranes. Structural interaction domains for arched greenhouse showed a better capability of the structure to resist to vertical loads then to horizontal one. Moreover, the climatic load distribution on the structure assigned by EN13031 is such that the combination of climatic actions is less dangerous for the structure then their individual application. Whilst, duo pitched roof steel greenhouse interaction domains, showed a better capability of the structure to resist to vertical loads then to horizontal one and that, in any case, the serviceability limit states analysis is more strict then the ULS one. The shape of structural domains highlighted that the combination of actions is more dangerous for the

  16. Rift Valley fever phlebovirus NSs protein core domain structure suggests molecular basis for nuclear filaments.

    Science.gov (United States)

    Barski, Michal; Brennan, Benjamin; Miller, Ona K; Potter, Jane A; Vijayakrishnan, Swetha; Bhella, David; Naismith, James H; Elliott, Richard M; Schwarz-Linek, Ulrich

    2017-09-15

    Rift Valley fever phlebovirus (RVFV) is a clinically and economically important pathogen increasingly likely to cause widespread epidemics. RVFV virulence depends on the interferon antagonist non-structural protein (NSs), which remains poorly characterized. We identified a stable core domain of RVFV NSs (residues 83-248), and solved its crystal structure, a novel all-helical fold organized into highly ordered fibrils. A hallmark of RVFV pathology is NSs filament formation in infected cell nuclei. Recombinant virus encoding the NSs core domain induced intranuclear filaments, suggesting it contains all essential determinants for nuclear translocation and filament formation. Mutations of key crystal fibril interface residues in viruses encoding full-length NSs completely abrogated intranuclear filament formation in infected cells. We propose the fibrillar arrangement of the NSs core domain in crystals reveals the molecular basis of assembly of this key virulence factor in cell nuclei. Our findings have important implications for fundamental understanding of RVFV virulence.

  17. Controlling the anisotropy and domain structure with oblique deposition and substrate rotation

    Directory of Open Access Journals (Sweden)

    N. Chowdhury

    2014-02-01

    Full Text Available Effect of substrate rotation on anisotropy and domain structure for a thin ferromagnetic film has been investigated in this work. For this purpose Co films with 10 nm thickness have been prepared by sputtering with oblique angle of incidence for various substrate rotations. This method of preparation induces a uniaxial anisotropy due to shadow deposition effect. The magnetization reversal is studied by magneto-optic Kerr effect (MOKE based microscope in the longitudinal geometry. The Co films prepared by rotating the substrate with 10 and 20 rpm weakens the anisotropy but does not completely give isotropic films. But this leads to high dispersion in local grain anisotropy resulting in ripple and labyrinth domains. It is observed that the substrate rotation has moderate effect on uniaxial anisotropy but has significant effect on the magnetization reversal process and the domain structure.

  18. The dynamics of the asymmetric motion of domain walls of sandwich domain structure in a Fe-based amorphous ribbon

    Energy Technology Data Exchange (ETDEWEB)

    Zhmetko, D.N., E-mail: sergey.zhmetko@gmail.com [Department of Physics, Zaporizhzhya National University, 66 Zhukovsky Street, 69063 Zaporizhzhya (Ukraine); Zhmetko, S.D. [Department of Physics, Zaporizhzhya National University, 66 Zhukovsky Street, 69063 Zaporizhzhya (Ukraine); Troschenkov, Y.N. [Institute for Magnetism, 36-b Vernadsky Boulevard, 03142 Kyiv (Ukraine); Matsura, A.V. [Department of Physics, Zaporizhzhya National University, 66 Zhukovsky Street, 69063 Zaporizhzhya (Ukraine)

    2013-08-15

    The frequency dependence of asymmetry of the domain walls velocity relative to the middle plane of amorphous ribbon is investigated. An additional pressure of the same direction acting on each domain wall caused by dependence of eddy current damping on the coordinate of the domain wall is revealed. The microscopic mechanisms of this additional pressure are considered. - Highlights: ► Additional pressure on the domain wall, caused by inhomogeneity of its damping. ► Asymmetry of the coordinate of the nucleation of domain walls and their damping. ► Connection between the components of additional pressure and its direction. ► Interaction of domain walls with the surface defects of the amorphous ribbon.

  19. The dynamics of the asymmetric motion of domain walls of sandwich domain structure in a Fe-based amorphous ribbon

    International Nuclear Information System (INIS)

    Zhmetko, D.N.; Zhmetko, S.D.; Troschenkov, Y.N.; Matsura, A.V.

    2013-01-01

    The frequency dependence of asymmetry of the domain walls velocity relative to the middle plane of amorphous ribbon is investigated. An additional pressure of the same direction acting on each domain wall caused by dependence of eddy current damping on the coordinate of the domain wall is revealed. The microscopic mechanisms of this additional pressure are considered. - Highlights: ► Additional pressure on the domain wall, caused by inhomogeneity of its damping. ► Asymmetry of the coordinate of the nucleation of domain walls and their damping. ► Connection between the components of additional pressure and its direction. ► Interaction of domain walls with the surface defects of the amorphous ribbon

  20. Ultrahigh piezoelectricity in ferroelectric ceramics by design

    Science.gov (United States)

    Li, Fei; Lin, Dabin; Chen, Zibin; Cheng, Zhenxiang; Wang, Jianli; Li, ChunChun; Xu, Zhuo; Huang, Qianwei; Liao, Xiaozhou; Chen, Long-Qing; Shrout, Thomas R.; Zhang, Shujun

    2018-03-01

    Piezoelectric materials, which respond mechanically to applied electric field and vice versa, are essential for electromechanical transducers. Previous theoretical analyses have shown that high piezoelectricity in perovskite oxides is associated with a flat thermodynamic energy landscape connecting two or more ferroelectric phases. Here, guided by phenomenological theories and phase-field simulations, we propose an alternative design strategy to commonly used morphotropic phase boundaries to further flatten the energy landscape, by judiciously introducing local structural heterogeneity to manipulate interfacial energies (that is, extra interaction energies, such as electrostatic and elastic energies associated with the interfaces). To validate this, we synthesize rare-earth-doped Pb(Mg1/3Nb2/3)O3-PbTiO3 (PMN-PT), as rare-earth dopants tend to change the local structure of Pb-based perovskite ferroelectrics. We achieve ultrahigh piezoelectric coefficients d33 of up to 1,500 pC N-1 and dielectric permittivity ɛ33/ɛ0 above 13,000 in a Sm-doped PMN-PT ceramic with a Curie temperature of 89 °C. Our research provides a new paradigm for designing material properties through engineering local structural heterogeneity, expected to benefit a wide range of functional materials.

  1. Structure of DSM-5 and ICD-11 personality domains in Iranian community sample.

    Science.gov (United States)

    Lotfi, Mozhgan; Bach, Bo; Amini, Mahdi; Simonsen, Erik

    2018-02-02

    Personality disorders (PD) have been deemed the most problematic diagnostic grouping in terms of validity and utility, which particularly applies to non-Western societies. The current study evaluated the structural validity of PD trait domains in the Diagnostic and Statistical Manual of Mental Disorders-5 (DSM-5) Section III and the proposed International Classification of Diseases-11 (ICD-11) in the Iranian population. Community-dwelling adults (n = 285; 66% women) were administered the Personality Inventory for DSM-5, whereas the proposed ICD-11 trait domains were delineated using an algorithm for Personality Inventory for DSM-5 trait facets. The five-factor organization and higher-order hierarchical structure of both models were examined using exploratory structural equation modelling analyses. The five-factor exploratory structural equation modelling loadings overall resembled international findings on DSM-5 Section III traits (including Psychoticism), whereas the ICD-11 five-factor structure aligned with the proposed ICD-11 domain features (including Anankastia). Additionally, we identified a hierarchical structure from one to five factors for both models that conceptually aligned with established models of personality and psychopathology. This study provided initial support for the structural validity of DSM-5 and ICD-11 PD trait models in Iranian culture. Future research warrants replication in larger samples and clinical populations. Copyright © 2018 John Wiley & Sons, Ltd. Copyright © 2018 John Wiley & Sons, Ltd.

  2. Extracting structural features of rat sciatic nerve using polarization-sensitive spectral domain optical coherence tomography

    NARCIS (Netherlands)

    Islam, M.S.; Oliveira, M.C.; Wang, Y.; Henry, F.P.; Randolph, M.A.; Park, B. H.; de Boer, J.F.

    2012-01-01

    We present spectral domain polarization-sensitive optical coherence tomography (SD PS-OCT) imaging of peripheral nerves. Structural and polarization-sensitive OCT imaging of uninjured rat sciatic nerves was evaluated both qualitatively and quantitatively. OCT and its functional extension, PS-OCT,

  3. Evolution of the RNase P RNA structural domain in Leptospira spp

    NARCIS (Netherlands)

    Ravishankar, Vigneshwaran; Ahmed, Ahmed; Sivagnanam, Ulaganathan; Muthuraman, Krishnaraja; Karthikaichamy, Anbarasu; Wilson, Herald A.; Devendran, Ajay; Hartskeerl, Rudy A.; Raj, Stephen M. L.

    2014-01-01

    We have employed the RNase P RNA (RPR) gene, which is present as single copy in chromosome I of Leptospira spp. to investigate the phylogeny of structural domains present in the RNA subunit of the tRNA processing enzyme, RNase P. RPR gene sequences of 150 strains derived from NCBI database along

  4. alpha-helical structural elements within the voltage-sensing domains of a K(+) channel.

    Science.gov (United States)

    Li-Smerin, Y; Hackos, D H; Swartz, K J

    2000-01-01

    Voltage-gated K(+) channels are tetramers with each subunit containing six (S1-S6) putative membrane spanning segments. The fifth through sixth transmembrane segments (S5-S6) from each of four subunits assemble to form a central pore domain. A growing body of evidence suggests that the first four segments (S1-S4) comprise a domain-like voltage-sensing structure. While the topology of this region is reasonably well defined, the secondary and tertiary structures of these transmembrane segments are not. To explore the secondary structure of the voltage-sensing domains, we used alanine-scanning mutagenesis through the region encompassing the first four transmembrane segments in the drk1 voltage-gated K(+) channel. We examined the mutation-induced perturbation in gating free energy for periodicity characteristic of alpha-helices. Our results are consistent with at least portions of S1, S2, S3, and S4 adopting alpha-helical secondary structure. In addition, both the S1-S2 and S3-S4 linkers exhibited substantial helical character. The distribution of gating perturbations for S1 and S2 suggest that these two helices interact primarily with two environments. In contrast, the distribution of perturbations for S3 and S4 were more complex, suggesting that the latter two helices make more extensive protein contacts, possibly interfacing directly with the shell of the pore domain.

  5. α-Helical Structural Elements within the Voltage-Sensing Domains of a K+ Channel

    Science.gov (United States)

    Li-Smerin, Yingying; Hackos, David H.; Swartz, Kenton J.

    2000-01-01

    Voltage-gated K+ channels are tetramers with each subunit containing six (S1–S6) putative membrane spanning segments. The fifth through sixth transmembrane segments (S5–S6) from each of four subunits assemble to form a central pore domain. A growing body of evidence suggests that the first four segments (S1–S4) comprise a domain-like voltage-sensing structure. While the topology of this region is reasonably well defined, the secondary and tertiary structures of these transmembrane segments are not. To explore the secondary structure of the voltage-sensing domains, we used alanine-scanning mutagenesis through the region encompassing the first four transmembrane segments in the drk1 voltage-gated K+ channel. We examined the mutation-induced perturbation in gating free energy for periodicity characteristic of α-helices. Our results are consistent with at least portions of S1, S2, S3, and S4 adopting α-helical secondary structure. In addition, both the S1–S2 and S3–S4 linkers exhibited substantial helical character. The distribution of gating perturbations for S1 and S2 suggest that these two helices interact primarily with two environments. In contrast, the distribution of perturbations for S3 and S4 were more complex, suggesting that the latter two helices make more extensive protein contacts, possibly interfacing directly with the shell of the pore domain. PMID:10613917

  6. The influence of boundary conditions on domain structure stability in spin wave approximation

    International Nuclear Information System (INIS)

    Wachinewski, A.

    1974-01-01

    Instead of the usually used Born-Karman cyclic conditions, boundary conditions which take into account the situation of the boundary lattice sites lying on the crystal's surface are assumed. It is shown that the particular choice of the boundary conditions secures the stability of domain structure in ferromagnet (positive spin wave energies), without including the Winter term in Hamiltonian. (author)

  7. Preconditioned finite-difference frequency-domain for modelling periodic dielectric structures - comparisons with FDTD

    NARCIS (Netherlands)

    Chabory, A.; Hon, de B.P.; Schilders, W.H.A.; Tijhuis, A.G.

    2008-01-01

    Finite-difference techniques are very popular and versatile numerical tools in computational electromagnetics. In this paper, we propose a preconditioned finite-difference frequency-domain method (FDFD) to model periodic structures in 2D and 3D. The preconditioner follows from a modal decoupling

  8. Preconditioned finite-difference frequency-domain for modelling periodic dielectric structures : comparisons with FDTD

    NARCIS (Netherlands)

    Chabory, A.; Hon, de B.P.; Schilders, W.H.A.; Tijhuis, A.G.

    2008-01-01

    Finite-difference techniques are very popular and versatile numerical tools in computational electromagnetics. In this paper, we propose a preconditioned finite-difference frequency-domain method (FDFD) to model periodic structures in 2D and 3D. The preconditioner follows from a modal decoupling

  9. Study of stratified dielectric slab medium structures using pseudo-spectral time domain (PSTD) algorithm

    DEFF Research Database (Denmark)

    Tong, M.S.; Lu, Y.; Chen, Y.

    2005-01-01

    -layer structures are analyzed. Results show that this method matches satisfactorily the Nyquist sampling theorem in terms of spatial discretization. By comparing the given results, it is found that the PSTD method outperforms the finite-difference time-domain (FDTD) method in general, especially in terms...

  10. Exact diagonalization study of domain structures in integer filling factor quantum Hall ferromagnets

    Czech Academy of Sciences Publication Activity Database

    Rezayi, E. H.; Jungwirth, Tomáš; MacDonald, A. H.; Haldane, F. D. M.

    2003-01-01

    Roč. 67, č. 20 (2003), s. 201305-1 - 201305-4 ISSN 0163-1829 R&D Projects: GA ČR GA202/01/0754 Institutional research plan: CEZ:AV0Z1010914 Keywords : domain structure * integer filling factor * quantum Hall ferromagnets Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.962, year: 2003

  11. Temperature-induced transitions between domain structures of ultrathin magnetic films

    International Nuclear Information System (INIS)

    Polyakova, T.; Zablotskii, V.

    2005-01-01

    Full text: Understanding of the influence of temperature on behavior of domain patterns of ultrathin magnetic films is of high significance for the fundamental physics of nanomagnetism as well as for technological applications. A thickness-dependent Curie temperature of ultrathin films may cause many interesting phenomena in the thermal evolution of domain structures (DS): i) nontrivial changes of the anisotropy constants as a function of the film thickness; ii) so-called inverse melting of DSs (processes where a more symmetric domain phase is found at lower temperatures than at higher temperatures - the inverse phase sequence) [1]; iii) temperature-induced transitions between domain structures. The possibility of such transitions is determined by lowering of the potential barriers separating different magnetization states as the film temperature approaches the Curie point. In this case with an increase of temperature, due to a significant decrease of the anisotropy constant, the domain wall energy is low enough and allows the system to reach equilibrium by a change of the domain wall number in the sample. This manifests itself in a transition from a metastable DS to a more stable DS which corresponds to new values of the anisotropy constant and magnetizations saturation. Thus, the temperature-induced transitions are driven by temperature changes of the magnetic parameters of the film. The key parameters controlling the DS geometry and period are the characteristic length, l c =σ/4πM S 2 (the ratio between the domain wall and demagnetization energies), and the quality factor Q =K/2πM S 2 (K is the first anisotropy constant). We show that for films with a pronounced nonmonotonic temperature dependence of l c one can expect a counter thermodynamic behavior: the inverse phase sequence and cooling-induced disordering. On changing temperature the existing domain structure should accommodate itself under new magnitudes of l c and Q. There are the two possible

  12. Phase domain structures in cylindrical magnets under conditions of a first-order magnetic phase transition

    International Nuclear Information System (INIS)

    Dzhezherya, Yu.I.; Klymuk, O.S.

    2011-01-01

    The magnetic and resonance properties of cylindrical magnets at first-order phase transition from paramagnetic to ferromagnetic state were theoretically studied. It has been shown that in the external magnetic field directed perpendicularly to the rotation axis, formation of a specific domain structure of paramagnetic and ferromagnetic layers can be energetically favorable. The parameters of cylindrical phase domains as well as their dependences on temperature, magnetic field and material characteristics have been calculated. Peculiarities of the magnetic resonance spectra appearing as a result of the phase domain formation have been considered. Dependence of the resonance field of the system of ferromagnetic domains on magnetization and temperature has been obtained. - Highlights: → Parameters of the equilibrium system of cylindrical phase domains are calculated. → The range of fields for PM and FM phases coexistence is found. → FMR field of the disk domains is found to be lower than that of the PMR field.→ The resonance field increases with the decrease of temperature lower than T || .

  13. Simulations of super-structure domain walls in two dimensional assemblies of magnetic nanoparticles

    International Nuclear Information System (INIS)

    Jordanovic, J.; Frandsen, C.; Beleggia, M.; Schiøtz, J.

    2015-01-01

    We simulate the formation of domain walls in two-dimensional assemblies of magnetic nanoparticles. Particle parameters are chosen to match recent electron holography and Lorentz microscopy studies of almost monodisperse cobalt nanoparticles assembled into regular, elongated lattices. As the particles are small enough to consist of a single magnetic domain each, their magnetic interactions can be described by a spin model in which each particle is assigned a macroscopic “superspin.” Thus, the magnetic behaviour of these lattices may be compared to magnetic crystals with nanoparticle superspins taking the role of the atomic spins. The coupling is, however, different. The superspins interact only by dipolar interactions as exchange coupling between individual nanoparticles may be neglected due to interparticle spacing. We observe that it is energetically favorable to introduce domain walls oriented along the long dimension of nanoparticle assemblies rather than along the short dimension. This is unlike what is typically observed in continuous magnetic materials, where the exchange interaction introduces an energetic cost proportional to the area of the domain walls. Structural disorder, which will always be present in realistic assemblies, pins longitudinal domain walls when the external field is reversed, and makes a gradual reversal of the magnetization by migration of longitudinal domain walls possible, in agreement with previous experimental results

  14. Crystal structure of the Rasputin NTF2-like domain from Drosophila melanogaster

    International Nuclear Information System (INIS)

    Vognsen, Tina; Kristensen, Ole

    2012-01-01

    Highlights: ► The crystal structure of the NTF2-like domain of Rasputin protein is presented. ► Differences to known ligand binding sites of nuclear transport factor 2 are discussed. ► A new ligand binding site for the Rasputin and G3BP proteins is proposed. -- Abstract: The crystal structure of the NTF2-like domain of the Drosophila homolog of Ras GTPase SH3 Binding Protein (G3BP), Rasputin, was determined at 2.7 Å resolution. The overall structure is highly similar to nuclear transport factor 2: It is a homodimer comprised of a β-sheet and three α-helices forming a cone-like shape. However, known binding sites for RanGDP and FxFG containing peptides show electrostatic and steric differences compared to nuclear transport factor 2. A HEPES molecule bound in the structure suggests a new, and possibly physiologically relevant, ligand binding site.

  15. Systematic prediction of new ferroelectric inorganic materials in point group 6

    International Nuclear Information System (INIS)

    Abrahams, S.C.

    1990-01-01

    A total of seven new families and sixteen structurally different inorganic materials with point group 6 are shown to satisfy the criteria presented previously by the present author for predicting ferroelectricity. In case each prediction is experimentally verified, the 183 individual entries for point group 6 listed in the Inorganic Crystal Structure Database will result in over 80 new ferroelectrics, of which about 30 are rare-earth isomorphs. The total number of 'pure'

  16. Structural coupling of SH2-kinase domains links Fes and Abl substrate recognition and kinase activation.

    Science.gov (United States)

    Filippakopoulos, Panagis; Kofler, Michael; Hantschel, Oliver; Gish, Gerald D; Grebien, Florian; Salah, Eidarus; Neudecker, Philipp; Kay, Lewis E; Turk, Benjamin E; Superti-Furga, Giulio; Pawson, Tony; Knapp, Stefan

    2008-09-05

    The SH2 domain of cytoplasmic tyrosine kinases can enhance catalytic activity and substrate recognition, but the molecular mechanisms by which this is achieved are poorly understood. We have solved the structure of the prototypic SH2-kinase unit of the human Fes tyrosine kinase, which appears specialized for positive signaling. In its active conformation, the SH2 domain tightly interacts with the kinase N-terminal lobe and positions the kinase alphaC helix in an active configuration through essential packing and electrostatic interactions. This interaction is stabilized by ligand binding to the SH2 domain. Our data indicate that Fes kinase activation is closely coupled to substrate recognition through cooperative SH2-kinase-substrate interactions. Similarly, we find that the SH2 domain of the active Abl kinase stimulates catalytic activity and substrate phosphorylation through a distinct SH2-kinase interface. Thus, the SH2 and catalytic domains of active Fes and Abl pro-oncogenic kinases form integrated structures essential for effective tyrosine kinase signaling.

  17. Fast and non-destructive pore structure analysis using terahertz time-domain spectroscopy.

    OpenAIRE

    Markl, Daniel; Bawuah, Prince; Ridgway, Cathy; van den Ban, Sander; Goodwin, Daniel J; Ketolainen, Jarkko; Gane, Patrick; Peiponen, Kai-Erik; Zeitler, Jochen Axel

    2018-01-01

    Pharmaceutical tablets are typically manufactured by the uni-axial compaction of powder that is confined radially by a rigid die. The directional nature of the compaction process yields not only anisotropic mechanical properties (e.g. tensile strength) but also directional properties of the pore structure in the porous compact. This study derives a new quantitative parameter, $S_a$, to describe the anisotropy in pore structure of pharmaceutical tablets based on terahertz time-domain spectrosc...

  18. Characterization of high-power RF structures using time-domain field codes

    International Nuclear Information System (INIS)

    Shang, C.C.; DeFord, J.F.; Swatloski, T.L.

    1992-01-01

    We have modeled gyrotron windows and gyrotron amplifier sever structures for TE modes in the 100-150 GHz range and have computed the reflection and transmission characteristics from the field data. Good agreement with frequency domain codes and analytic analysis have been obtained for some simple geometries. We present results for realistic structures with lossy coatings and describe implementation of microwave diagnostics. (Author) 5 figs., 7 refs

  19. Observation of the domain structure in Fe-Au superlattices with perpendicular anisotropy

    Energy Technology Data Exchange (ETDEWEB)

    Zoladz, M. E-mail: zoladz@uci.agh.edu.pl; Slezak, T.; Wilgocka-Slezak, D.; Spiridis, N.; Korecki, J.; Stobiecki, T. E-mail: stobieck@uci.agh.edu.pl; Roell, K

    2004-05-01

    Polar Kerr Microscopy was used to visualize characteristic transitions and external magnetic field driven domain structure evolution in a perpendicularly magnetized Fe-Au AF/FM double multilayer structure. Real time imaging performed in the external magnetic field allowed for identification of all sublayers magnetization reversal in accordance with measured PMOKE magnetization curve, showing strong dependence of transition character on the interlayer coupling type and adjacent sublayers magnetization orientation.

  20. Observation of the domain structure in Fe-Au superlattices with perpendicular anisotropy

    International Nuclear Information System (INIS)

    Zoladz, M.; Slezak, T.; Wilgocka-Slezak, D.; Spiridis, N.; Korecki, J.; Stobiecki, T.; Roell, K.

    2004-01-01

    Polar Kerr Microscopy was used to visualize characteristic transitions and external magnetic field driven domain structure evolution in a perpendicularly magnetized Fe-Au AF/FM double multilayer structure. Real time imaging performed in the external magnetic field allowed for identification of all sublayers magnetization reversal in accordance with measured PMOKE magnetization curve, showing strong dependence of transition character on the interlayer coupling type and adjacent sublayers magnetization orientation