Polaronic Transport in Phosphate Glasses Containing Transition Metal Ions

Polaronic Transport in Phosphate Glasses Containing Transition Metal Ions PDF Author: Mark Joseph Henderson
Publisher:
ISBN:
Category : Glass
Languages : en
Pages : 118

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Book Description
The goal of this dissertation is to characterize the basic transport properties of phosphate glasses containing various amounts of TIs and to identify and explain any electronic phase transitions which may occur. The P2O5-V2O5-WO3 (PVW) glass system will be analyzed to find the effect of TI concentration on conduction. In addition, the effect of the relative concentrations of network forming ions (SiO2 and P2O5) on transport will be studied in the P2O5-SiO2-Fe2O3 (PSF)system. Also presented is a numerical study on a tight-binding model adapted for the purposes of modelling Gaussian traps, mimicking TI's, which are arranged in an extended network. The results of this project will contribute to the development of fundamental theories on the electronic transport in glasses containing mixtures of transition oxides as well as those containing multiple network formers without discernible phase separation. The present study on the PVW follows up on previous investigation into the effect on mixed transition ions in oxide glasses. Past research has focused on glasses containing transition metalions from the 3d row. The inclusion of tungsten, a 5d transition metal, adds a layer of complexity through the mismatch of the energies of the orbitals contributing to localized states. The data have indicated that a transition reminiscent of a metal-insulator transition (MIT) occurs in this system as the concentration of tungsten increases. As opposed to some other MIT-like transitions found in phosphate glass systems, there seems to be no polaron to bipolaron conversion. Instead, the individual localization parameter for tungsten noticeably decreases dramatically at the transition point as well as the adiabaticity. Another distinctive feature of this project is the study of the PSF system, which contains two true network formers, phosphorous pentoxide (P2O5) and silicon dioxide (SiO2). It is not usually possible to do a reliable investigation of the conduction properties of such glasses because the two network formers will tend to separate into different phases, making it difficult to obtain homogenous samples. The PSF system proved easier to study than other systems. The hopping in this system seems to be dominated by the Greaves mid-range mechanism. In addition, in samples containing the same proportion of iron, conductivities were found to not depend noticeably on composition, supporting the use of models focusing on the transition metal ions in calculating conductivity. Despite ostensibly changing the structural and metrical properties of the network, the ratio of the concentration of the network formers only appears to have an effect on the conductivity through changing the inter-atomic distance of iron. The numerical model adds to the evidence for the dominating contribution on the nearest neighbor ordering of TI ions on the electrical properties of a glass; especially interesting is the reproducibility of the mixed-transition ion effect (MTE) in a numerical model where ensemble averages are taken over possible arrangements. It was also determined that the disorder arising from the spread between two types of traps can lead to a MIT as function of population. Finally, an outline of the notion of invariance in TI glasses is extended from work done by other authors, creating an opportunity for further research.

Polaronic Transport in Phosphate Glasses Containing Transition Metal Ions

Polaronic Transport in Phosphate Glasses Containing Transition Metal Ions PDF Author: Mark Joseph Henderson
Publisher:
ISBN:
Category : Glass
Languages : en
Pages : 118

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Book Description
The goal of this dissertation is to characterize the basic transport properties of phosphate glasses containing various amounts of TIs and to identify and explain any electronic phase transitions which may occur. The P2O5-V2O5-WO3 (PVW) glass system will be analyzed to find the effect of TI concentration on conduction. In addition, the effect of the relative concentrations of network forming ions (SiO2 and P2O5) on transport will be studied in the P2O5-SiO2-Fe2O3 (PSF)system. Also presented is a numerical study on a tight-binding model adapted for the purposes of modelling Gaussian traps, mimicking TI's, which are arranged in an extended network. The results of this project will contribute to the development of fundamental theories on the electronic transport in glasses containing mixtures of transition oxides as well as those containing multiple network formers without discernible phase separation. The present study on the PVW follows up on previous investigation into the effect on mixed transition ions in oxide glasses. Past research has focused on glasses containing transition metalions from the 3d row. The inclusion of tungsten, a 5d transition metal, adds a layer of complexity through the mismatch of the energies of the orbitals contributing to localized states. The data have indicated that a transition reminiscent of a metal-insulator transition (MIT) occurs in this system as the concentration of tungsten increases. As opposed to some other MIT-like transitions found in phosphate glass systems, there seems to be no polaron to bipolaron conversion. Instead, the individual localization parameter for tungsten noticeably decreases dramatically at the transition point as well as the adiabaticity. Another distinctive feature of this project is the study of the PSF system, which contains two true network formers, phosphorous pentoxide (P2O5) and silicon dioxide (SiO2). It is not usually possible to do a reliable investigation of the conduction properties of such glasses because the two network formers will tend to separate into different phases, making it difficult to obtain homogenous samples. The PSF system proved easier to study than other systems. The hopping in this system seems to be dominated by the Greaves mid-range mechanism. In addition, in samples containing the same proportion of iron, conductivities were found to not depend noticeably on composition, supporting the use of models focusing on the transition metal ions in calculating conductivity. Despite ostensibly changing the structural and metrical properties of the network, the ratio of the concentration of the network formers only appears to have an effect on the conductivity through changing the inter-atomic distance of iron. The numerical model adds to the evidence for the dominating contribution on the nearest neighbor ordering of TI ions on the electrical properties of a glass; especially interesting is the reproducibility of the mixed-transition ion effect (MTE) in a numerical model where ensemble averages are taken over possible arrangements. It was also determined that the disorder arising from the spread between two types of traps can lead to a MIT as function of population. Finally, an outline of the notion of invariance in TI glasses is extended from work done by other authors, creating an opportunity for further research.

Atomistic Simulations of Glasses

Atomistic Simulations of Glasses PDF Author: Jincheng Du
Publisher: John Wiley & Sons
ISBN: 1118940245
Category : Technology & Engineering
Languages : en
Pages : 564

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Book Description
A complete reference to computer simulations of inorganic glass materials In Atomistic Simulations of Glasses: Fundamentals and Applications, a team of distinguished researchers and active practitioners delivers a comprehensive review of the fundamentals and practical applications of atomistic simulations of inorganic glasses. The book offers concise discussions of classical, first principles, Monte Carlo, and other simulation methods, together with structural analysis techniques and property calculation methods for the models of glass generated from these atomistic simulations, before moving on to practical examples of the application of atomistic simulations in the research of several glass systems. The authors describe simulations of silica, silicate, aluminosilicate, borosilicate, phosphate, halide and oxyhalide glasses with up-to-date information and explore the challenges faced by researchers when dealing with these systems. Both classical and ab initio methods are examined and comparison with experimental structural and property data provided. Simulations of glass surfaces and surface-water reactions are also covered. Atomistic Simulations of Glasses includes multiple case studies and addresses a variety of applications of simulation, from elucidating the structure and properties of glasses for optical, electronic, architecture applications to high technology fields such as flat panel displays, nuclear waste disposal, and biomedicine. The book also includes: A thorough introduction to the fundamentals of atomistic simulations, including classical, ab initio, Reverse Monte Carlo simulation and topological constraint theory methods Important ingredients for simulations such as interatomic potential development, structural analysis methods, and property calculations are covered Comprehensive explorations of the applications of atomistic simulations in glass research, including the history of atomistic simulations of glasses Practical discussions of rare earth and transition metal-containing glasses, as well as halide and oxyhalide glasses In-depth examinations of glass surfaces and silicate glass-water interactions Perfect for glass, ceramic, and materials scientists and engineers, as well as physical, inorganic, and computational chemists, Atomistic Simulations of Glasses: Fundamentals and Applications is also an ideal resource for condensed matter and solid-state physicists, mechanical and civil engineers, and those working with bioactive glasses. Graduate students, postdocs, senior undergraduate students, and others who intend to enter the field of simulations of glasses would also find the book highly valuable.

Advances in Glass and Optical Materials

Advances in Glass and Optical Materials PDF Author: Shibin Jiang
Publisher: John Wiley & Sons
ISBN: 1118407989
Category : Technology & Engineering
Languages : en
Pages : 113

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Book Description
This proceedings volume contains papers on the current research and development in the area of glass and optical materials. Papers include topics on glasses for bioapplications, glass fibers for optical and insulating applications, glass-ceramics, phosphate glasses, patent searching, and more.

Molecular Dynamics Simulations of Disordered Materials

Molecular Dynamics Simulations of Disordered Materials PDF Author: Carlo Massobrio
Publisher: Springer
ISBN: 3319156756
Category : Technology & Engineering
Languages : en
Pages : 540

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Book Description
This book is a unique reference work in the area of atomic-scale simulation of glasses. For the first time, a highly selected panel of about 20 researchers provides, in a single book, their views, methodologies and applications on the use of molecular dynamics as a tool to describe glassy materials. The book covers a wide range of systems covering "traditional" network glasses, such as chalcogenides and oxides, as well as glasses for applications in the area of phase change materials. The novelty of this work is the interplay between molecular dynamics methods (both at the classical and first-principles level) and the structure of materials for which, quite often, direct experimental structural information is rather scarce or absent. The book features specific examples of how quite subtle features of the structure of glasses can be unraveled by relying on the predictive power of molecular dynamics, used in connection with a realistic description of forces.

Linear and Nonlinear Electron Transport in Solids

Linear and Nonlinear Electron Transport in Solids PDF Author: J. Devreeese
Publisher: Springer Science & Business Media
ISBN: 1475708750
Category : Science
Languages : en
Pages : 627

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Book Description


Metal Oxide Defects

Metal Oxide Defects PDF Author: Vijay Kumar
Publisher: Elsevier
ISBN: 0323903592
Category : Technology & Engineering
Languages : en
Pages : 758

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Book Description
Metal Oxide Defects: Fundamentals, Design, Development and Applications provides a broad perspective on the development of advanced experimental techniques to study defects and their chemical activity and catalytic reactivity in various metal oxides. This book highlights advances in characterization and analytical techniques to achieve better understanding of a wide range of defects, most importantly, state-of-the-art methodologies for controlling defects. The book provides readers with pathways to apply basic principles and interpret the behavior of metal oxides. After reviewing characterization and analytical techniques, the book focuses on the relationship of defects to the properties and performance of metal oxides. Finally, there is a review of the methods to control defects and the applications of defect engineering for the design of metal oxides for applications in optoelectronics, energy, sensing, and more. This book is a key reference for materials scientists and engineers, chemists, and physicists. Reviews advances in characterization and analytical techniques to understand the behavior of defects in metal oxide materials Introduces defect engineering applied to the design of metal oxide materials with desirable properties Discusses applications of defect engineering to enhance the performance of materials for a wide range of applications, with an emphasis on optoelectronics

Acta Physica Polonica

Acta Physica Polonica PDF Author:
Publisher:
ISBN:
Category : Physics
Languages : en
Pages : 552

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Book Description


Synchrotron Radiation Science and Applications

Synchrotron Radiation Science and Applications PDF Author: Andrea Di Cicco
Publisher: Springer Nature
ISBN: 3030720055
Category : Science
Languages : en
Pages : 239

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Book Description
This book collects several contributions presented at the 2019 meeting of the Italian Synchrotron Radiation Society (SILS), held in Camerino, Italy, from 9 to 11 September 2019. Topics included are recent developments in synchrotron radiation facilities and instrumentation, novel methods for data analysis, applications in the fields of materials physics and chemistry, Earth and environmental science, coherence in x-ray experiments. The book is intended for advanced students and researchers interested in synchrotron-based techniques and their application in diverse fields.

Noncrystalline Semiconductors

Noncrystalline Semiconductors PDF Author:
Publisher:
ISBN:
Category : Amorphous semiconductors
Languages : en
Pages : 192

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Book Description


Solid Electrolytes for Advanced Applications

Solid Electrolytes for Advanced Applications PDF Author: Ramaswamy Murugan
Publisher: Springer Nature
ISBN: 3030315819
Category : Science
Languages : en
Pages : 373

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Book Description
This book highlights the state of the art in solid electrolytes, with particular emphasis on lithium garnets, electrolyte-electrode interfaces and all-solid-state batteries based on lithium garnets. Written by an international group of renowned experts, the book addresses how garnet-type solid electrolytes are contributing to the development of safe high energy density Li batteries. Unlike the flammable organic liquid electrolyte used in existing rechargeable Li batteries, garnet-type solid electrolytes are intrinsically chemically stable in contact with metallic lithium and potential positive electrodes, while offering reasonable Li conductivity. The book's respective chapters cover a broad spectrum of topics related to solid electrolytes, including interfacial engineering to resolve the electrolyte-electrode interfaces, the latest developments in the processing of thin and ultrathin lithium garnet membranes, and fabrication strategies for the high-performance solid-state batteries.This highly informative and intriguing book will appeal to postgraduate students and researchers at academic and industrial laboratories with an interest in the advancement of high energy-density lithium metal batteries