Condensed Matter Physics Commons^™

Structural And Electronic Properties Of Few-Layer Monochalcogenides, Brandon Joel Miller

Graduate Theses and Dissertations

This work discusses a new class of materials with novel properties that have only recently begun being studied. These materials are two-dimensional group IV-VI monochalcogenides, so named because they are formed from group IV (carbon group) and group VI (chalcogens) elements. These materials display several interesting physical properties such as ferroelasticity and ferroelectricity, and the contents within Chapters Two, Three, and Four concern a collaborative effort between theory and experiment between our group at the University of Arkansas and Dr. Kai Chang at the Max Planck Institute of Microstructure Physics in Halle, Germany in studying these properties. This thesis is …

Study Of Static And Dynamical Properties Of Complex Antiferroelectrics Materials, Kinnary Yogeshbhai Patel

Graduate Theses and Dissertations

The aim of this dissertation is the investigation of the static and dynamical properties of the complex antiferroelectric materials using Effective Hamiltonian method and First principles calculations. In chapter 3, a novel elemental interatomic coupling in perovskite materials which bilinearly couples the antiferroelectric displacements of cations with the rotations of the oxygen octahedra. This new coupling explains a very complex crystal structure of prototypical antiferroelectric PbZrO3. My explanation provides a unified description of many other complex antipolar crystal structures in variety of perovskite materials, including the occurrence of incommensurate phases in some of them. In chapter 4, results and analysis …

Defects In Ferroelectric Hfo2, A. Chouprik, D. Negrov, E. Y. Tsymbal, A. Zenkevich

Evgeny Tsymbal Publications

No abstract provided.

Cold Sintering Diisopropylamonium Bromide To Form Organic Ceramic Pellets, Darren Armstrong

Honors Theses

Diisopropylamonium bromide is an organic ferroelectric compound. Standard sample preparation methods either require a powder or a single crystal. Certain measurements cannot be done on powders due to equipment limitations, and single crystals are difficult and time consuming to produce and handle. Cold sintering is a relatively new process that allows the creation of ceramics. The original cold sintering process was adapted to work for diisopropylamonium bromide. This allows the creation of ceramics with a large surface area. These pellets can achieve up to 95% of the theoretical maximum density. While the pellets are currently unsuitable for electric testing at …

Diffuse Scattering And Local Order In Lead-Based Relaxor Ferroelectrics, Matthew J. Krogstad

Graduate Research Theses & Dissertations

Relaxor ferroelectrics are characterized by their dielectric permittivity, and some of these materials display outstanding electromechanical coupling, a property that makes them useful in applications from sonar and ultrasound to precision actuators. However, there is a surprising lack of consensus regarding the local structure of these materials and how it relates to their useful bulk properties. A common feature of many proposed mechanisms is the importance of short-range order differing from the long-range symmetry of the material. Such a difference between short-range and long-range order makes these materials ideal candidates for study via diffuse scattering, a technique sensitive to differences …

Reversible Spin Texture In Ferroelectric Hfo2, L. L. Tao, Tula R. Paudel, Alexey Kovalev, Evgeny Tsymbal

Evgeny Tsymbal Publications

Spin-orbit coupling effects occurring in noncentrosymmetric materials are known to be responsible for nontrivial spin configurations and a number of emergent physical phenomena. Ferroelectric materials may be especially interesting in this regard due to reversible spontaneous polarization making possible a nonvolatile electrical control of the spin degrees of freedom. Here, we explore a technologically relevant oxide material, HfO₂, which has been shown to exhibit robust ferroelectricity in a noncentrosymmetric orthorhombic phase. Using theoretical modelling based on density-functional theory, we investigate the spin-dependent electronic structure of the ferroelectric HfO₂ and demonstrate the appearance of chiral spin textures driven …

Properties And Manipulation Of Ionic Liquid-Solid Interfaces In Complex Oxide Materials, Anthony Thomas Wong

Doctoral Dissertations

Ionic liquids are liquid salts that are bringing rapid changes to the field of solid electronic materials. The implementation of ionic liquids in conjunction with these solid materials produces interfacial effects, especially when a bias is applied across the ionic liquid, forming an electric double layer. Electric double layers in ionic liquids are unique in their formation and the interfacial charges that are orders of magnitude higher than conventional techniques they can impart, providing new techniques for device design and implementation. In chapter 1, the fundamentals of the solid state electronic and magnetic materials are introduced, along with ionic liquids, …

Domain Wall Conductivity In Semiconducting Hexagonal Ferroelectric Tbmno3 Thin Films, D. J. Kim, J. G. Connell, S. S. A. Seo, Alexei Gruverman

Alexei Gruverman Publications

Although enhanced conductivity of ferroelectric domain boundaries has been found in BiFeO₃ and Pb(Zr,Ti)O₃ 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 TbMnO₃ 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 TbMnO₃ films is …

The Effects Of Strain And Vacancies On The Electric And Vibrational Properties Of Ferroelectric Batio3 From First-Principles, Aldo Serge Michael Raeliarijaona

Graduate Theses and Dissertations

The studies of ferroelectricity (FE) are of technological significance because of the multitude of applicable properties that ferroelectric materials exhibit. The mastery, and control of these properties necessitate the knowledge of the fundamental physics governing these insulating materials.

In this dissertation I present the results of first-principles investigations of the behavior of the fundamental ferroelectric properties under strain, and in the presence of vacancies. In the first part I introduce the important FE properties, their common behavior, and their numerous valuable applications. Following this background on FEs, a review of theoretical methods is presented with topics such as: Density Functional …

Ferroelectric Polarization Dependent Interface Effects, Xiaohui Liu

Department of Physics and Astronomy: Dissertations, Theses, and Student Research

Utilization of the switchable spontaneous polarization of nanometer scale ferroelectric materials offers a promising avenue for future nanoelectronic devices. In this dissertation, we use density-functional calculations and phenomenological modeling to explore the effects of interface termination on thin-film heterostructures, the effects of electron doping in bulk ferroelectric materials on ferroelectric stability, and the effects of ferroelectric polarization switching on the electronic and transport properties of interfaces.

For SrRuO₃/BaTiO₃/SrRuO₃ epitaxial heterostructures grown on SrTiO₃, we find that the built-in dipole at the BaO/RuO₂ terminated interface leads to a strong preference for one polarization. …

Study Of Ferroelectric Oxides And Field Effect In Complex Oxides Heterostructures, Lu Jiang

Doctoral Dissertations

With the rapid development of technology, the need for novel materials and state-of-theart devices is growing fast. Complex oxides which have strongly correlated electrons are favorable candidates for materials industry, due to their rich phase diagrams and multiple functions. Especially, ferroelectric oxides is very promising materials in the industry for storage, due to their bistable polarization states triggered by external electrical field. This thesis is centered on ferroelectric oxides, analyzing their lattice structures and investigating the interface of ferroelectrics and other complex oxides to examine the potential of the heteostructures in the application in electronic devices.

The most notable feature …

The Soft Mode Driven Dynamics Of Ferroelectric Perovskites At The Nanoscale: An Atomistic Study, Kevin Mccash

USF Tampa Graduate Theses and Dissertations

The discovery of ferroelectricity at the nanoscale has incited a lot of interest in perovskite ferroelectrics not only for their potential in device application but also for their potential to expand fundamental understanding of complex phenomena at very small size scales. Unfortunately, not much is known about the dynamics of ferroelectrics at this scale. Many of the widely held theories for ferroelectric materials are based on bulk dynamics which break down when applied to smaller scales. In an effort to increase understanding of nanoscale ferroelectric materials we use atomistic resolution computational simulations to investigate the dynamics of polar perovskites. Within …

Properties Of Multiferroic Bifeo3 From First Principles, Dovran Rahmedov

Graduate Theses and Dissertations

In this dissertation, a first-principle-based approach is developed to study magnetoelectric effect in multiferoic materials. Such approach has a significant predictive power and might serve as a guide to new experimental works. As we will discuss in the course of this work, it also gives an important insight to the underlying physics behind the experimentally observed phenomena.

We start by applying our method to investigate properties of a generic multiferroic material. We observe how magnetic susceptibility of such materials evolves with temperature and compare this evolution with the characteristic behavior of magnetic susceptibility for pure magnetic systems. Then we focus …

Ferroelectric And Dielectric Properties Of Electroactive Oligomers And Nanocomposites, Kristin Leigh Kraemer

Department of Physics and Astronomy: Dissertations, Theses, and Student Research

Polyvinylidene fluoride (PVDF) and its copolymers have been well established as ferroelectric polymers. The dielectric and ferroelectric properties for vinylidene fluoride (VDF) oligomer thin films were investigated. By synthesizing oligomers instead of long polymer chains, films with higher crystalinity can be formed and the locations of oligomers can be controlled for applications such as molecular electronics.

Evidence of ferroelectricity was observed in oligomer thin films evaporated onto room temperature substrates and by Langmuir-Blodgett (LB) deposition. Voltage and frequency dependence of the capacitance was measured. Oligomers functionalized with phosphonic acid formed self-assembled monolayers (SAM) on aluminum and mica substrates. Film thickness …

Functional Two-Dimensional Electronic Gases At Interfaces Of Oxide Heterostructures, Yong Wang

Department of Physics and Astronomy: Dissertations, Theses, and Student Research

A quasi-two dimensional electron gas (2DEG) in oxide heterostructures such as LaAlO₃/SrTiO₃ has unique properties that are promising for applications in all-oxide electronic devices. In this dissertation, we focus on understanding and predicting novel properties of the 2DEG by performing first-principles electronic calculations within the frame work of density-functional theory (DFT).

The effects of polarization in all-oxide heterostructures incorporating different ferroelectric constituents, such as KNbO₃/ATiO₃ (A = Sr, Ba, Pb), are investigated. It is found that screening charge at the interface that counteracts the depolarizing electric field in the ferroelectric material significantly changes the …

Electron Irradiation Effects On Ferroelectric Copolymer Langmuir-Blodgett Films, Christina M. Othon, Stephen Ducharme

Christina M Othon

The effect of irradiation on the ferroelectric properties of Langmuir-Blodgett films of the copolymer poly(vinylidene fluoride-trifluorethelene) is investigating using 1.26 MeV electrons with dosages from 16 to 110 Mrad. Irradiation causes a systematic decrease in the phase transition temperature, coercive field and polarization of these thin films.

Modeling Of Metal-Ferroelectric-Insulator-Semiconductor Structures Based On Langmuir–Blodgett Copolymer Films, Timothy J. Reece, Stephen Ducharme

Stephen Ducharme Publications

Among the ferroelectric thin films used in field-effect transistor devices; the ferroelectric copolymer of polyvinylidene fluoride PVDF –CH2–CF2–, with trifluoroethylene TrFE –CHF–CF2–, has distinct advantages, including low dielectric constant, low processing temperature, low cost, and compatibility with organic semiconductors. The operation of a metal-ferroelectric insulatorsemiconductor structure with PVDF-TrFE as the ferroelectric layer was analyzed and optimized by numerical solution of the Miller and McWhorter model. A model device consisting of 20 nm PVDF/TrFE on a 10-nm-thick high-k dielectric buffer exhibits a memory window of 5 V with an operating voltage of 15 V. The operating voltage can be reduced to …

Nanoscale Domain Patterns In Ultrathin Polymer Ferroelectric Films, Pankaj Sharma, Timothy J. Reece, Daniel W. Wu, Vladimir M. Fridkin, Stephen Ducharme, Alexei Gruverman

Stephen Ducharme Publications

High-resolution studies of domain configurations in Langmuir–Blodgett films of ferroelectric polymer poly(vinylidene fluoride-trifluoroethylene), P(VDF-TrFE), have been carried out by means of piezoresponse force microscopy (PFM). Changes in film thickness and morphology cause significant variations in polarization patterns. In continuous films and nanomesas with relatively low thickness/grain aspect ratio (<1/10), the relationship between the average domain size and thickness follows the Kittel law. Nanomesas with high aspect ratio (>1/5) exhibit significant deviations from this law, suggesting additional surface-energy-related mechanisms affecting the domain patterns. Polarization reversal within a single crystallite has been demonstrated and local switching parameters (coercive voltage and remnant piezoresponse) have been measured by monitoring the local hysteresis loops. Reliable control of polarization at the sub-grain level demonstrates …

Polarization Switching Kinetics Of Ferroelectric Nanomesas Of Vinylidene Fluoride-Trifluoroethylene Copolymer, R. V. Gaynutdinov, O. A. Lysova, S. G. Yudin, A. L. Tolstikhina, A. L. Kholkin, V. M. Fridkin, Stephen Ducharme

Stephen Ducharme Publications

The polarization switching kinetics of ferroelectric polymer nanomesas was investigated using piezoresponse force microscopy. The nanomesas were made by self-organization from Langmuir–Blodgett films of a 70% vinylidene fluoride and 30% trifluoroethylene copolymer. The polarization switching time exhibits an exponential dependence on reciprocal voltage that is consistent with nucleation-type switching dynamics.

Size-Driven Domain Reorientation In Hydrothermally Derived Lead Titanate Nanoparticles, Zhiyuan Ye, Elliot B. Slamovich, Alexander H. King

Alexander H. King

High-resolution transmission electron microscopy studies of hydrothermally derived platelike lead titanate nanoparticles reveal that below a critical size of approximately 70 nm, the single ferroelectric domain polarization axis reorients from perpendicular to parallel to the plate. We suggest that during particle growth, ions in the hydrothermal processing medium compensate for the ferroelectric depolarization energy. When the processing medium is removed by washing and drying, single domain nanoparticles minimize their depolarization energy by c-axis flipping.

Investigation Of Ferroelectricity In Newly Synthesized Nitrile Polymer Systems, Matt Poulsen, Stephen Ducharme, Alexander V. Sorokin, Sahadeva Reddy, James M. Takacs, Y. Wen, Jihee Kim, Shireen Adenwalla

Stephen Ducharme Publications

The ferroelectric and piezoelectric properties of newly synthesized polymer systems have been studied. To date PVDF and its copolymers P(VDF-TrFE) have provided the bulk of the knowledge pertaining to ferroelectricity in polymers. Recently, ultrathin ferroelectric films of P(VDF-TrFE) 70:30 have been fabricated using the Langmuir-Blodgett technique [4]. In this study, various new polymers have been synthesized by chemically altering the PVDF structure. This alteration was performed in order to enhance the amphiphilic nature of the polymer and thus improve the LB film quality and control. Various chemical groups have been used to replace the electropositive hydrogen and electronegative fluorine found …

Effects Of Electron Irradiation On The Ferroelectric Properties Of Langmuir-Blodgett Copolymer Films, Christina Othon, Fred Bateman, Stephen Ducharme

Christina M Othon

The effect of irradiation on the ferroelectric properties of Langmuir-Blodgett films of the copolymer poly(vinylidene fluoride-trifluoroethylene) was investigated using 1‐MeV electrons for doses from 0.16 to 1.10 MGy, where 1 Gray (Gy) = 100 rad. Irradiation causes a systematic decrease in the phase-transition temperature, crystallinity, and spontaneous polarization of the films. The crystallinity and spontaneous polarization of the films decreased by amounts proportional to the dose, both tending toward zero near a dose of 1.30 MGy. The ferroelectric-paraelectric phase-transition temperature, however, was only reduced by about 12%, indicating that the primary effect of irradiation was to convert a crystalline ferroelectric …

Mapping Surface Polarization In Thin Films Of The Ferroelectric Polymer P(Vdf-Trfe)., Bradley W. Peterson, Stephen Ducharme, Vladimir M. Fridkin, Timothy J. Reece

Stephen Ducharme Publications

Pyroelectric Scanning Microscopy (PSM) has been developed to enable mapping of surface polarization in ferroelectric thin films, in particular the copolymer polyvinylidene fluoride trifluororethylene, or P(VDF-TrFE). The Chynoweth method for dynamically measuring pyroelectric current is employed in conjunction with a micropositioning system to construct two-dimensional images of the film polarization. These images have revealed enhancement of the polarization near the edges of the film below the average coercive field, with the center's polarization increasing thereafter to meet the edge value at saturation.

Electron Irradiation Effects On Ferroelectric Copolymer Langmuir-Blodgett Films, Christina M. Othon, Stephen Ducharme

Stephen Ducharme Publications

The effect of irradiation on the ferroelectric properties of Langmuir-Blodgett films of the copolymer poly(vinylidene fluoride-trifluorethelene) is investigating using 1.26 MeV electrons with dosages from 16 to 110 Mrad. Irradiation causes a systematic decrease in the phase transition temperature, coercive field and polarization of these thin films.

Comment On: 'Depolarization Corrections To The Coercive Field In Thin-Film Ferroelectrics', Stephen Ducharme, Vladimir Fridkin

Stephen Ducharme Publications

The Letter by Dawber et al. [J. Phys.: Condens. Matter 15 L393 (2003)] notes that incomplete screening in the electrodes of a ferroelectric capacitor can result in an underestimate for the true coercive field in films of nanometer thickness. We show that their estimate of the magnitude of this correction it too large in the case of ferroelectric copolymer Langmuir- Blodgett films and, as a result, invalidates the claim that finite-size scaling of the ferroelectric coercive field is evident in films thinner than 15 nm.