Download or read book Band Structure of Cubic Hydrides written by Dimitrios A. Papaconstantopoulos and published by Springer Nature. This book was released on 2023-02-20 with total page 687 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book compiles detailed results of electronic structure calculations for most possible cubic monohydrides, dihydrides and selected trihydrides related to superconductivity, comprising elements with atomic numbers up to 103. Beginning with an introduction to the theory and details of the computational methods implemented, this handbook presents a collection of chapters containing results for different classes of cubic hydrides, featuring tables of three-centre and two-centre tight-binding parameterizations, diagrams of energy bands, and densities of states with angular momentum decomposition. Equilibrium lattice parameters and bulk moduli are also included, along with the electron-ion matrix element (Hopfield-McMillan parameter), Stoner criterion for ferromagnetism and values of Fermi velocities and plasmon energies. Each chapter features a brief text explaining the results presented with comparison to experimental values when available. A selection of the implemented computer codes is reproduced for the reader’s own use. This handbook is an ideal complement to any standard electronic structure text for students and researchers in materials science, condensed matter physics, and quantum chemistry.
Download or read book Electronic Band Structure and Optical Properties of the Cubic Sc Y and La Hydride Systems written by and published by . This book was released on 1980 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Electronic band structure calculations are used to interpret the optical spectra of the cubic Sc, Y and La hydride systems. Self-consistent band calculations of ScH2 and YH2 were carried out. The respective joint densities of states are computed and compared to the dielectric functions determined from the optical measurements. Additional calculations were performed in which the Fermi level or band gap energies are rigidly shifted by a small energy increment. These calculations are then used to simulate the derivative structure in thermomodulation spectra and relate the origin of experimental interband features to the calculated energy bands. While good systematic agreement is obtained for several spectral features, the origin of low-energy interband transitions in YH2 cannot be explained by these calculated bands. A lattice-size-dependent premature occupation of octahedral sites by hydrogen atoms in the fcc metal lattice is suggested to account for this discrepancy. Various non-self-consistent calculations are used to examine the effect of such a premature occupation. Measurements of the optical absorptivity of LaH3 with 1.6
Download or read book Electronic Structure and Properties of Hydrogen in Metals written by C.B. Satterthwaite and published by Springer Science & Business Media. This book was released on 2013-03-09 with total page 682 pages. Available in PDF, EPUB and Kindle. Book excerpt: Hydrogen is the smallest impurity atom that can be implanted in a metallic host. Its small mass and strong interaction with the host electrons and nuclei are responsible for many anomalous and interesting solid state effects. In addition, hydrogen in metals gives rise to a number of technological problems such as hydrogen embrittlement, hydrogen storage, radiation hardening, first wall problems associated with nuclear fusion reactors, and degradation of the fuel cladding in fission reactors. Both the fundamental effects and applied problems have stimulated a great deal of inter est in the study of metal hydrogen systems in recent years. This is evident from a growing list of publications as well as several international conferences held in this field during the past decade. It is clear that a fundamental understanding of these problems re quires a firm knowledge of the basic interactions between hydrogen, host metal atoms, intrinsic lattice defects and electrons. This understanding is made particularly difficult by hyrogen's small mass and by the large lattice distortions that accompany the hydrogenation process. The purpose of the "International Symposium on the Electronic Structure and Properties of Hydrogen in Metals" held in Richmond, Virginia, March 4-6, 1982 was to increase our fundamental under standing of hydrogen in metals. Such knowledge is essential in solving technologically important questions. The symposium con sisted of twenty-two invited papers and seventy-two contributed poster presentations and attracted nearly 150 participants from thirteen countries. The proceedings of this symposium constitute this book.
Download or read book Electronic Structure of Nonstoichiometric Cubic Hydrides written by and published by . This book was released on 1980 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Using the supercell approach we have calculated the electronic structure of Y4H, Y4H9, Y4H11, and Y4H12 as prototypic of nonstoichiometric cubic di- and trihydrides. The nature of the interaction between the yttrium and the octahedral and tetrahedral hydrogens is shown by the relative amount of charge contained in the crystal spheres. Each added hydrogen lowers one band which was already partially filled. The charge on both the octahedral and tetrahedral sites is very similar and significantly more than is contained in a comparable atomic sphere.
Download or read book Hydrides for Energy Storage written by A. F. Andresen and published by Elsevier. This book was released on 2013-10-22 with total page 616 pages. Available in PDF, EPUB and Kindle. Book excerpt: Hydrides for Energy Storage documents the proceedings of an International Symposium held in Geilo, Norway on August 14-19, 1977. This book discusses the thermodynamics of metal, alloy and intermetallic/hydrogen systems; localization and diffusion of hydrogen in lanthanum-nickel compounds; kinetics of hydrogen absorption and desorption; and nuclear magnetic resonance studies of metal hydrides. The calculated heats of formation of metal and metal alloy hydrides; hydrogen absorption into rare earth intermetallic compounds; plateau pressure of RE Ni5 and RE Co5 hydrides; and hydride formation of C14-type Ti alloy are also elaborated. This text likewise covers the mixing effects of two different types of hydrides; hydrogen storage electrode systems; and applications of metal hydrides. This publication is intended for chemists concerned with the fundamental properties of hydrides.
Download or read book Hydrogen Materials Science and Chemistry of Metal Hydrides written by Michael D. Hampton and published by Springer Science & Business Media. This book was released on 2002-08-31 with total page 500 pages. Available in PDF, EPUB and Kindle. Book excerpt: The study of metal hydrides opens up promising avenues for the solution of world energy problems, as well as casting light on the interactions of hydrogen with materials, the role of hydrogen in materials science, and the chemistry of metal hydrides, all of which are discussed in this book in terms that range from a global look at the new vision of energy and how hydrogen fits into that future to reviews such as a look at nickel hydride over the last 40 years. Very specific current research in such areas as hydrogen in materials science discuss properties like superconductivity, diffusion EMF, magnetic properties, physicochemical properties, phase composition, and permeability. Hydrogen can also be used as a processing or alloying agent, and in the synthesis of battery electrodes, composite materials and alloys. The interaction of hydrogen with many metals, composites and alloys offers potential hydrogen storage systems. There is also a discussion of hydrogen sensors.
Download or read book Concise Encyclopedia of Magnetic and Superconducting Materials written by K.H.J. Buschow and published by Elsevier. This book was released on 2005-12-28 with total page 1361 pages. Available in PDF, EPUB and Kindle. Book excerpt: Magnetic and superconducting materials pervade every avenue of the technological world – from microelectronics and mass-data storage to medicine and heavy engineering. Both areas have experienced a recent revitalisation of interest due to the discovery of new materials, and the re-evaluation of a wide range of basic mechanisms and phenomena.This Concise Encyclopedia draws its material from the award-winning Encyclopedia of Materials and Engineering, and includes updates and revisions not available in the original set -- making it the ideal reference companion for materials scientists and engineers with an interest in magnetic and superconducting materials. - Contains in excess of 130 articles, taken from the award-winning Encyclopedia of Materials: Science and Technology, including ScienceDirect updates not available in the original set - Each article discusses one aspect of magnetic and superconducting materials and includes photographs, line drawings and tables to aid the understanding of the topic at hand - Cross-referencing guides readers to articles covering subjects of related interest
Download or read book Handbook of Solid State Chemistry 6 Volume Set written by Richard Dronskowski and published by John Wiley & Sons. This book was released on 2017-10-23 with total page 3912 pages. Available in PDF, EPUB and Kindle. Book excerpt: This most comprehensive and unrivaled compendium in the field provides an up-to-date account of the chemistry of solids, nanoparticles and hybrid materials. Following a valuable introductory chapter reviewing important synthesis techniques, the handbook presents a series of contributions by about 150 international leading experts -- the "Who's Who" of solid state science. Clearly structured, in six volumes it collates the knowledge available on solid state chemistry, starting from the synthesis, and modern methods of structure determination. Understanding and measuring the physical properties of bulk solids and the theoretical basis of modern computational treatments of solids are given ample space, as are such modern trends as nanoparticles, surface properties and heterogeneous catalysis. Emphasis is placed throughout not only on the design and structure of solids but also on practical applications of these novel materials in real chemical situations.
Download or read book Energy Research Abstracts written by and published by . This book was released on 1988 with total page 752 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Physics of Non Tetrahedrally Bonded Binary Compounds III Physik Der Nicht tetraedrisch Gebundenen Bin ren Verbindungen III written by J.B. Goodenough and published by Springer Science & Business Media. This book was released on 1984-10 with total page 694 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book The Electronic Structure of Complex Systems written by P. Phariseau and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 807 pages. Available in PDF, EPUB and Kindle. Book excerpt: We present here the transcripts of lectures and talks which were delivered at the NATO ADVANCED STUDY INSTITUTE "Electronic Structure of Complex Systems" held at the State University of Ghent, Belgium during the period July 12-23, 1982. The aim of these lectures was to highlight some of the current progress in our understanding of the electronic structure of com plex systems. A massive leap forward is obtained in bandstructure calculations with the advent of linear methods. The bandtheory also profitted tremendously from the recent developments in the density functional theories for the properties of the interacting electron gas in the presence of an external field of ions. The means of per forming fast bandstructure calculations and the confidence in the underlying potential functions have led in the past five years or so to a wealth of investigations into the electronic properties of elemental solids and compounds. The study of the trends of the electronic structure through families of materials provided invalu able insights for the prediction of new materials. The detailed study of the electronic structure of specific solids was not neglected and our present knowledge of d- and f-metals and metal hydrides was reviewed. For those systems we also investi gated the accuracy of the one electron potentials in fine detail and we complemented this with the study of small clusters of atoms where our calculations are amenable to comparison with the frontiers of quantum chemistry calculations.
Download or read book Metal Hydrides written by William M. Mueller and published by Elsevier. This book was released on 2013-09-12 with total page 804 pages. Available in PDF, EPUB and Kindle. Book excerpt: Metal Hydrides focuses on the theories of hydride formation as well as on experimental procedures involved in the formation of hydrides, the reactions that occur between hydrides and other media, and the physical and mechanical properties of the several classes of hydrides. The use of metal hydrides in the control of neutron energies is discussed, as are many other immediate or potential uses, e.g., in the production of high-purity hydrogen and in powder metallurgy. It is hoped that this book will serve as a valuable reference to students, research professors, and industrial researchers in metal hydrides and in allied fields. Selected chapters may serve specialists in other fields as an introduction to metal hydrides. The information contained herein will also be of lasting and practical value to the metallurgist, inorganic chemist, solid-state physicist, nuclear engineer, and others working with chemical or physical processes involving metal-hydrogen systems.
Download or read book Electronic Structure written by Richard M. Martin and published by Cambridge University Press. This book was released on 2020-08-27 with total page 791 pages. Available in PDF, EPUB and Kindle. Book excerpt: An authoritative text in condensed matter physics, unifying theory and methods to present electronic structure to students and researchers.
Download or read book Electronic Structure and Properties written by Frank Y. Fradin and published by Elsevier. This book was released on 2013-10-22 with total page 461 pages. Available in PDF, EPUB and Kindle. Book excerpt: Treatise on Materials Science and Technology, Volume 21: Electronic Structure and Properties covers the developments in electron theory and electron spectroscopies. The book discusses the electronic structure of perfect and defective solids; the photoelectron spectroscopy as an electronic structure probe; and the electron-phonon interaction. The text describes the elastic properties of transition metals; the electrical resistivity of metals; as well as the electronic structure of point defects in metals. Metallurgists, materials scientists, materials engineers, and students involved in the related fields will find the book useful.
Download or read book Some Solid State Properties of Hydrides of Intermetallic Compounds written by Harlan Fletcher Bittner and published by . This book was released on 1977 with total page 424 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book ICREEC 2019 written by Ahmed Belasri and published by Springer Nature. This book was released on 2020-06-10 with total page 659 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book highlights peer reviewed articles from the 1st International Conference on Renewable Energy and Energy Conversion, ICREEC 2019, held at Oran in Algeria. It presents recent advances, brings together researchers and professionals in the area and presents a platform to exchange ideas and establish opportunities for a sustainable future. Topics covered in this proceedings, but not limited to, are photovoltaic systems, bioenergy, laser and plasma technology, fluid and flow for energy, software for energy and impact of energy on the environment.
Download or read book Proceedings of the International Symposium on Metal Hydrogen Systems Fundamentals and Applications written by and published by . This book was released on 1995 with total page 962 pages. Available in PDF, EPUB and Kindle. Book excerpt:
