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Electronic Structure Of Rare Earth Nickelates From First Principles
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Book Synopsis Electronic Structure of Rare-Earth Nickelates from First-Principles by : Harrison LaBollita
Download or read book Electronic Structure of Rare-Earth Nickelates from First-Principles written by Harrison LaBollita and published by Springer. This book was released on 2024-10-28 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: This thesis demonstrates the value of theoretical approaches in the discovery of new superconducting materials. It reports a detailed study of the recently discovered nickel-oxide (nickelate) superconductors using multiple first-principles computational tools, from density functional theory to dynamical mean field theory. In the context of superconductivity, discoveries have generally been linked to serendipitous experimental discovery; this thesis reports some of the few examples of predictions of new superconductors that have later been realized in practice, a prime example of the significance of the methodology it expounds. Overall, it represents a seminal systematic work in the electronic structure theory of the emergent field of nickelate superconductivity.
Book Synopsis Advances in Superconducting Infinite-Layer and Related Nickelates by : Matthias Hepting
Download or read book Advances in Superconducting Infinite-Layer and Related Nickelates written by Matthias Hepting and published by Frontiers Media SA. This book was released on 2022-11-17 with total page 150 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Introduction to Spectroscopic Ellipsometry of Thin Film Materials by : Andrew Thye Shen Wee
Download or read book Introduction to Spectroscopic Ellipsometry of Thin Film Materials written by Andrew Thye Shen Wee and published by John Wiley & Sons. This book was released on 2022-04-11 with total page 213 pages. Available in PDF, EPUB and Kindle. Book excerpt: A one-of-a-kind text offering an introduction to the use of spectroscopic ellipsometry for novel material characterization In Introduction to Spectroscopic Ellipsometry of Thin Film Materials: Instrumentation, Data Analysis and Applications, a team of eminent researchers delivers an incisive exploration of how the traditional experimental technique of spectroscopic ellipsometry is used to characterize the intrinsic properties of novel materials. The book focuses on the scientifically and technologically important two-dimensional transition metal dichalcogenides (2D-TMDs), magnetic oxides like manganite materials, and unconventional superconductors, including copper oxide systems. The distinguished authors discuss the characterization of properties, like electronic structures, interfacial properties, and the consequent quasiparticle dynamics in novel quantum materials. Along with illustrative and specific case studies on how spectroscopic ellipsometry is used to study the optical and quasiparticle properties of novel systems, the book includes: Thorough introductions to the basic principles of spectroscopic ellipsometry and strongly correlated systems, including copper oxides and manganites Comprehensive explorations of two-dimensional transition metal dichalcogenides Practical discussions of single layer graphene systems and nickelate systems In-depth examinations of potential future developments and applications of spectroscopic ellipsometry Perfect for master’s- and PhD-level students in physics and chemistry, Introduction to Spectroscopic Ellipsometry of Thin Film Materials will also earn a place in the libraries of those studying materials science seeking a one-stop reference for the applications of spectroscopic ellipsometry to novel developed materials.
Download or read book Chemical Abstracts written by and published by . This book was released on 2002 with total page 2726 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis First Principles Calculations of Electronic Structure by : Thomas Llewellyn-Jones
Download or read book First Principles Calculations of Electronic Structure written by Thomas Llewellyn-Jones and published by . This book was released on 2012 with total page 38 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Spin Spirals and Charge Textures in Transition-Metal-Oxide Heterostructures by : Alex Frano
Download or read book Spin Spirals and Charge Textures in Transition-Metal-Oxide Heterostructures written by Alex Frano and published by Springer. This book was released on 2014-05-28 with total page 162 pages. Available in PDF, EPUB and Kindle. Book excerpt: This thesis presents the results of resonant and non-resonant x-ray scattering experiments demonstrating the control of collective ordering phenomena in epitaxial nickel-oxide and copper-oxide based superlattices. Three outstanding results are reported: (1) LaNiO3-LaAlO3 superlattices with fewer than three consecutive NiO2 layers exhibit a novel spiral spin density wave, whereas superlattices with thicker nickel-oxide layer stacks remain paramagnetic. The magnetic transition is thus determined by the dimensionality of the electron system. The polarization plane of the spin density wave can be tuned by epitaxial strain and spatial confinement of the conduction electrons. (2) Further experiments on the same system revealed an unusual structural phase transition controlled by the overall thickness of the superlattices. The transition between uniform and twin-domain states is confined to the nickelate layers and leaves the aluminate layers unaffected. (3) Superlattices based on the high-temperature superconductor YBa2Cu3O7 exhibit an incommensurate charge density wave order that is stabilized by heterointerfaces. These results suggest that interfaces can serve as a powerful tool to manipulate the interplay between spin order, charge order, and superconductivity in cuprates and other transition metal oxides.
Book Synopsis Ordering Phenomena in Rare-Earth Nickelate Heterostructures by : Matthias Hepting
Download or read book Ordering Phenomena in Rare-Earth Nickelate Heterostructures written by Matthias Hepting and published by Springer. This book was released on 2017-06-28 with total page 159 pages. Available in PDF, EPUB and Kindle. Book excerpt: This thesis presents an experimental study of ordering phenomena in rare-earth nickelate-based heterostructures by means of inelastic Raman light scattering and elastic resonant x-ray scattering (RXS). Further, it demonstrates that the amplitude ratio of magnetic moments at neighboring nickel sites can be accurately determined by RXS in combination with a correlated double cluster model, and controlled experimentally through structural pinning of the oxygen positions in the crystal lattice. The two key outcomes of the thesis are: (a) demonstrating full control over the charge/bond and spin order parameters in specifically designed praseodymium nickelate heterostructures and observation of a novel spin density wave phase in absence of the charge/bond order parameter, which confirms theoretical predictions of a spin density wave phase driven by spatial confinement of the conduction electrons; and (b) assessing the thickness-induced crossover between collinear and non-collinear spin structures in neodymium nickelate slabs, which is correctly predicted by drawing on density functional theory.
Book Synopsis First Principles Calculations of the Electronic Structure of Ba1-xNaxTi2Sb2O by :
Download or read book First Principles Calculations of the Electronic Structure of Ba1-xNaxTi2Sb2O written by and published by . This book was released on 2013 with total page 31 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis On the electronic Structure of the light rare earth hybrides by :
Download or read book On the electronic Structure of the light rare earth hybrides written by and published by . This book was released on 1985 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis First-principles Calculations of Electronic Structure by :
Download or read book First-principles Calculations of Electronic Structure written by and published by . This book was released on 2012 with total page 32 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis First Principles Investigations of Electronic Structure and Transport Properties of Graphitic Structures and Single Molecular Junctions by : Jonathan R. Owens
Download or read book First Principles Investigations of Electronic Structure and Transport Properties of Graphitic Structures and Single Molecular Junctions written by Jonathan R. Owens and published by . This book was released on 2014 with total page 202 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Elementary Electronic Structure (Revised Edition) by : Walter A Harrison
Download or read book Elementary Electronic Structure (Revised Edition) written by Walter A Harrison and published by World Scientific Publishing Company. This book was released on 2004-04-22 with total page 864 pages. Available in PDF, EPUB and Kindle. Book excerpt: This is a revised edition of the 1999 text on the electronic structure and properties of solids, similar in spirit to the well-known 1980 text Electronic Structure and the Properties of Solids. The revisions include an added chapter on glasses, and rewritten sections on spin-orbit coupling, magnetic alloys, and actinides. The text covers covalent semiconductors, ionic insulators, simple metals, and transition-metal and f-shell-metal systems. It focuses on the most important aspects of each system, making what approximations are necessary in order to proceed analytically and obtain formulae for the properties. Such back-of-the-envelope formulae, which display the dependence of any property on the parameters of the system, are characteristic of Harrison's approach to electronic structure, as is his simple presentation and his provision of all the needed parameters.In spite of the diversity of systems and materials, the approach is systematic and coherent, combining the tight-binding (or atomic) picture with the pseudopotential (or free-electron) picture. This provides parameters — the empty-core radii as well as the covalent energies — and conceptual bases for estimating the various properties of all these systems. Extensive tables of parameters and properties are included.The book has been written as a text, with problems at the end of each chapter, and others can readily be generated by asking for estimates of different properties, or different materials, than those treated in the text. In fact, the ease of generating interesting problems reflects the extraordinary utility and simplicity of the methods introduced. Developments since the 1980 publication have made the theory simpler and much more accurate, besides allowing much wider application.
Book Synopsis Ground-state Oxygen Holes and the Metal-insulator Transition in the Negative Charge-transfer Rare-earth Nickelates by :
Download or read book Ground-state Oxygen Holes and the Metal-insulator Transition in the Negative Charge-transfer Rare-earth Nickelates written by and published by . This book was released on 2016 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: The metal-insulator transitions and the intriguing physical properties of rare-earth perovskite nickelates have attracted considerable attention in recent years. However, a complete understanding of these materials remains elusive. Here, taking a NdNiO3 thin film as a representative example, we utilize a combination of x-ray absorption (XAS) and resonant inelastic x-ray scattering (RIXS) spectroscopies to resolve important aspects of the complex electronic structure of the rare-earth nickelates. The unusual coexistence of bound and continuum excitations observed in the RIXS spectra provides strong evidence for the abundance of oxygen 2p holes in the ground state of these materials. Using cluster calculations and Anderson impurity model interpretation, we show that these distinct spectral signatures arise from a Ni 3d8 configuration along with holes in the oxygen 2p valence band, confirming suggestions that these materials do not obey a "conventional" positive charge-transfer picture, but instead exhibit a negative charge-transfer energy, in line with recent models interpreting the metal to insulator transition in terms of bond disproportionation.
Book Synopsis Controlling Collective Electronic States in Cuprates and Nickelates by : Martin Bluschke
Download or read book Controlling Collective Electronic States in Cuprates and Nickelates written by Martin Bluschke and published by Springer Nature. This book was released on 2020-07-27 with total page 170 pages. Available in PDF, EPUB and Kindle. Book excerpt: In this thesis chemical and epitaxial degrees of freedom are used to manipulate charge and spin ordering phenomena in two families of transition metal oxides, while taking advantage of state-of-the-art resonant x-ray scattering (RXS) methods to characterize their microscopic origin in a comprehensive manner. First, the relationship of charge density wave order to both magnetism and the "pseudogap" phenomenon is systematically examined as a function of charge-carrier doping and isovalent chemical substitution in single crystals of a copper oxide high-temperature superconductor. Then, in copper oxide thin films, an unusual three-dimensionally long-range-ordered charge density wave state is discovered, which persists to much higher temperatures than charge-ordered states in other high-temperature superconductors. By combining crystallographic and spectroscopic measurements, the origin of this phenomenon is traced to the epitaxial relationship with the underlying substrate. This discovery opens new perspectives for the investigation of charge order and its influence on the electronic properties of the cuprates. In a separate set of RXS experiments on superlattices with alternating nickel and dysprosium oxides, several temperature- and magnetic-field-induced magnetic phase transitions are discovered. These observations are explained in a model based on transfer of magnetic order and magneto-crystalline anisotropy between the Ni and Dy subsystems, thus establishing a novel model system for the interplay between transition-metal and rare-earth magnetism.
Book Synopsis First-principles Calculations of the Local Electronic Structure in Undoped and Doped Cuprates by : Christophe Bersier
Download or read book First-principles Calculations of the Local Electronic Structure in Undoped and Doped Cuprates written by Christophe Bersier and published by . This book was released on 2005 with total page 109 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Electronic Structure and Properties of Rare Earth and Actinide Intermetallics by :
Download or read book Electronic Structure and Properties of Rare Earth and Actinide Intermetallics written by and published by . This book was released on with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis First-Principles Electronic Structure of Si, Ge, GaP, GaAs, ZnS, and ZnSe. II. Optical Properties by : C. S. Wang
Download or read book First-Principles Electronic Structure of Si, Ge, GaP, GaAs, ZnS, and ZnSe. II. Optical Properties written by C. S. Wang and published by . This book was released on 1981 with total page 13 pages. Available in PDF, EPUB and Kindle. Book excerpt:
