Handbook of the Band Structure of Elemental Solids PDF Download
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Author: Dimitris A. Papaconstantopoulos
Publisher: Springer
ISBN: 1441982647
Category : Science
Languages : en
Pages : 663
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Book Description
This handbook presents electronic structure data and tabulations of Slater-Koster parameters for the whole periodic table. This second edition presents data sets for all elements up to Z = 112, Copernicium, whereas the first edition contained only 53 elements. In this new edition, results are given for the equation of state of the elements together with the parameters of a Birch fit, so that the reader can regenerate the results and derive additional information, such as Pressure-Volume relations and variation of Bulk Modulus with Pressure. For each element, in addition to the equation of state, the energy bands, densities of states and a set of tight-binding parameters is provided. For a majority of elements, the tight-binding parameters are presented for both a two- and three-center approximation. For the hcp structure, new three-center tight-binding results are given. Other new material in this edition include: energy bands and densities of states of all rare-earth metals, a discussion of the McMillan-Gaspari-Gyorffy theories and a tabulation of the electron-ion interaction matrix elements. The evaluation of the Stoner criterion for ferromagnetism is examined and results are tabulated. This edition also contains two new appendices discussing the effects of spin-orbit interaction and a modified version of Harrison's tight-binding theory for metals which puts the theory on a quantitative basis.
Author: Dimitris A. Papaconstantopoulos
Publisher: Springer
ISBN: 1441982647
Category : Science
Languages : en
Pages : 663
Get Book Here
Book Description
This handbook presents electronic structure data and tabulations of Slater-Koster parameters for the whole periodic table. This second edition presents data sets for all elements up to Z = 112, Copernicium, whereas the first edition contained only 53 elements. In this new edition, results are given for the equation of state of the elements together with the parameters of a Birch fit, so that the reader can regenerate the results and derive additional information, such as Pressure-Volume relations and variation of Bulk Modulus with Pressure. For each element, in addition to the equation of state, the energy bands, densities of states and a set of tight-binding parameters is provided. For a majority of elements, the tight-binding parameters are presented for both a two- and three-center approximation. For the hcp structure, new three-center tight-binding results are given. Other new material in this edition include: energy bands and densities of states of all rare-earth metals, a discussion of the McMillan-Gaspari-Gyorffy theories and a tabulation of the electron-ion interaction matrix elements. The evaluation of the Stoner criterion for ferromagnetism is examined and results are tabulated. This edition also contains two new appendices discussing the effects of spin-orbit interaction and a modified version of Harrison's tight-binding theory for metals which puts the theory on a quantitative basis.
Author: D. A. Papaconstantopoulos
Publisher: Springer
ISBN:
Category : Science
Languages : en
Pages : 432
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Book Description
This handbook consists of tabulations of the Slater-Koster parameters of 53 elements in the periodic table, including metals, semiconductors, and insulators. These parameters are derived by fitting to first principles self-consistent and scalar-relativistic band structure calculations using in all cases (except for Si, Ge, and Sn) the augmented plane-wave method. For the cubic materials four different sets of parameters are presented in this work, corresponding to the following representations: (1) three-center nonorthogonal, (2) three-center orthogonal, (3) two-center nonorthogonal, and (4) two-center orthogonal. For the hexagonal materials only two-center parameters are given. For each element, figures showing the energy bands and densities of states resulting from the nonorthogonal three-center and two-center calculations for the cubic and hexagonal materials, respectively, are also included. For the 3d and 4d transition metals we present addition tabulations for cubic structures other than the usual ones.
Author: Jeffrey W. Lynn
Publisher: Springer Science & Business Media
ISBN: 1461232228
Category : Technology & Engineering
Languages : en
Pages : 417
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Book Description
One of the most exciting developments in modern physics has been the discovery of the new class of oxide materials with high superconducting transition temperature. Systems with Tc well above liquid nitrogen temperature are already a reality and higher Tc's are anticipated. Indeed, the idea of a room-temperature superconductor, which just a short time ago was considered science fiction, appears to be a distinctly possible outcome of materials research. To address the need to train students and scientists for research in this exciting field, Jeffrey W. Lynn and colleagues at the University of Maryland, College Park, as well as other superconductivity experts from around the U.S., taught a graduate-level course in the fall of 1987, from which the chapters in this book were drawn. Subjects included are: Survey of superconductivity (J. Lynn).- The theory of type-II superconductivity (D. Belitz).- The Josephson effect (P. Ferrell).- Crystallography (A. Santoro).- Electronic structure (C.P. Wang).- Magnetic properties and interactions (J. Lynn).- Synthesis and diamagnetic properties (R. Shelton).- Electron pairing (P. Allen).- Superconducting devices (F. Bedard).- Superconducting properties (J. Crow, N.-P. Ong).
Author: Ying Dai
Publisher: John Wiley & Sons
ISBN: 3527832122
Category : Technology & Engineering
Languages : en
Pages : 260
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Book Description
Calculations and Simulations of Low-Dimensional Materials A comprehensive guide to methods for calculating and simulating the properties of low-dimensional materials Two-dimensional materials are those, such as graphene and 2D oxides, whose thickness is so small as to approach the atomic scale. Potential applications for these materials exist in an enormous range of scientific and industrial fields. A previous era of low-dimensional materials focused on direct experimentation to demonstrate the properties, reactions, and potential applications of these materials; however, in recent years, calculation and simulation have been shown to have considerable predictive power, reducing the period between design and deployment of these potentially critical materials. Calculations and Simulations of Low-Dimensional Materials offers the first comprehensive survey of this exciting new approach to low-dimensional materials. It guides readers through the foundational physics and through a range of calculation and simulation methods, each with different predictive capacities. Mastery of these methods will enable readers to narrowly tailor the properties of particular materials towards real-world applications, providing confidence in the underlying mechanics and in the range of possible outcomes. Calculations and Simulations of Low-Dimensional Materials readers will also find: Broad coverage of material properties, including electronic, spin, magnetic, photonic, optical, electrochemical and transport properties Discussion of potential applications in areas such as electronics, spintronics, and valleytronics Examination of further potential applications regarding quantum Hall phase, photonics, optoelectronics, multiferroic, and photocatalysis Calculations and Simulations of Low-Dimensional Materials is a useful reference for materials scientists, electrochemists, inorganic chemists, physical chemists, photochemists, and the libraries that support these professions.
Author: Mihai V. Putz
Publisher: CRC Press
ISBN: 0429634099
Category : Science
Languages : en
Pages : 1479
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Book Description
New Frontiers in Nanochemistry: Concepts, Theories, and Trends, 3-Volume Set explains and explores the important fundamental and advanced modern concepts from various areas of nanochemistry and, more broadly, the nanosciences. This innovative and one-of-a kind set consists of three volumes that focus on structural nanochemistry, topological nanochemistry, and sustainable nanochemistry respectively, collectively forming an explicative handbook in nanochemistry. The compilation provides a rich resource that is both thorough and accessible, encompassing the core concepts of multiple areas of nanochemistry. It also explores the content through a trans-disciplinary lens, integrating the basic and advanced modern concepts in nanochemistry with various examples, applications, issues, tools, algorithms, and even historical notes on the important people from physical, quantum, theoretical, mathematical, and even biological chemistry.
Author:
Publisher: Elsevier
ISBN: 0080464572
Category : Science
Languages : en
Pages : 245
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Book Description
The goal of this Volume "Conceptual Foundations of Materials: A standard model for ground- and excited-state properties" is to present the fundamentals of electronic structure theory that are central to the understanding and prediction of materials phenomena and properties. The emphasis is on foundations and concepts. The Sections are designed to offer a broad and comprehensive perspective of the field. They cover the basic aspects of modern electronic structure approaches and highlight their applications to the structural (ground state, vibrational, dynamic and thermodynamic, etc.) and electronic (spectroscopic, dielectric, magnetic, transport, etc.) properties of real materials including solids, clusters, liquids, and nanostructure materials. This framework also forms a basis for studies of emergent properties arising from low-energy electron correlations and interactions such as the quantum Hall effects, superconductivity, and other cooperative phenomena. Although some of the basics and models for solids were developed in the early part of the last century by figures such as Bloch, Pauli, Fermi, and Slater, the field of electronic structure theory went through a phenomenal growth during the past two decades, leading to new concepts, understandings, and predictive capabilities for determining the ground- and excited-state properties of real, complex materials from first principles. For example, theory can now be used to predict the existence and properties of materials not previously realized in nature or in the laboratory. Computer experiments can be performed to examine the behavior of individual atoms in a particular process, to analyze the importance of different mechanisms, or just to see what happen if one varies the interactions and parameters in the simulation. Also, with ab initio calculations, one can determine from first principles important interaction parameters which are needed in model studies of complex processes or highly correlated systems. Each time a new material or a novel form of a material is discovered, electronic structure theory inevitably plays a fundamental role in unraveling its properties. - Provides the foundations of the field of condensed matter physics - An excellent supplementary text for classes on condensed matter physics/solid state physics - Volume covers current work at the forefront - Presentations are accessible to nonspecialists, with focus on underlying fundamentals
Author: Jenö Sólyom
Publisher: Springer Science & Business Media
ISBN: 3540853154
Category : Science
Languages : en
Pages : 660
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Book Description
The reader is holding the second volume of a three-volume textbook on sol- state physics. This book is the outgrowth of the courses I have taught for many years at Eötvös University, Budapest, for undergraduate and graduate students under the titles Solid-State Physics and Modern Solid-State Physics. The main motivation for the publication of my lecture notes as a book was that none of the truly numerous textbooks covered all those areas that I felt should be included in a multi-semester course. Especially, if the course strives to present solid-state physics in a uni?ed structure, and aims at d- cussing not only classic chapters of the subject matter but also (in more or less detail) problems that are of great interest for today’s researcher as well. Besides, the book presents a much larger material than what can be covered in a two- or three-semester course. In the ?rst part of the ?rst volume the analysis of crystal symmetries and structure goes into details that certainly cannot be included in a usual course on solid-state physics. The same applies, among others, to the discussion of the methods used in the determination of band structure, the properties of Fermi liquids and non-Fermi liquids, and the theory of unconventional superconductors in the present and third volumes. These parts can be assigned as supplementary reading for interested students, or can be discussed in advanced courses.
Author: Jürgen Kübler
Publisher: Oxford University Press
ISBN: 019289563X
Category : Science
Languages : en
Pages : 541
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Book Description
This book, in the broadest sense, is an application of quantum mechanics and statistical mechanics to the field of magnetism. Under certain well described conditions, an immensely large number of electrons moving in the solid will collectively produce permanent magnetism. Permanent magnets are of fundamental interest, and magnetic materials are of great practical importance as they provide a large field of technological applications. The physical details describing the many electron problem of magnetism are presented in this book on the basis of the density functional approximation. The emphasis is on realistic magnets, for which the equations describing properties of the many electron problem can only be solved by using computers. The significant recent and continuing improvements are, to a very large extent, responsible for the progress in this field. Along with an introduction to the density functional theory, the book describes representative computational methods and detailed formulas for physical properties of magnets which include among other things the computation of magnetic ordering temperatures, the giant magneto-resistance, magneto-optical effects, weak ferromagnetism, the anomalous Hall and Nernst effects, and novel quasiparticles, such as Weyl fermions and magnetic skyrmions.
Author: Tobias Brandes
Publisher: Springer Science & Business Media
ISBN: 9783540407850
Category : Science
Languages : en
Pages : 446
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Book Description
The phenomenon of localization of the electronic wave function in a random medium can be regarded as the key manifestation of quantum coherence in a condensed matter system. As one of the most remarkable phenomena in condensed matter physics discovered in the 20th century, the localization problem is an indispensable part of the theory of the quantum Hall effects and rivals superconductivity in its significance as a manifestation of quantum coherence at a macroscopic scale. The present volume, written by some of the leading experts in the field, is intended to highlight some of the recent progress in the field of localization, with particular emphasis on the effect of interactions on quantum coherence. The chapters are written in textbook style and should serve as a reliable and thorough introduction for advanced students or researchers already working in the field of mesoscopic physics.
Author: Gianfranco Pacchioni
Publisher: Springer Science & Business Media
ISBN: 1468460218
Category : Science
Languages : en
Pages : 683
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Book Description
It is widely recognized that an understanding of the physical and chemical properties of clusters will give a great deal of important information relevant to surface and bulk properties of condensed matter. This relevance of clusters for condensed matter is one of the major motivations for the study of atomic and molecular clusters. The changes of properties with cluster size, from small clusters containing only a few atoms to large clusters containing tens of thousands of atoms, provides a unique way to understand and to control the development of bulk properties as separated units are brought together to form an extended system. Another important use of clusters is as theoretical models of surfaces and bulk materials. The electronic wavefunctions for these cluster models have special advantages for understanding, in particular, the local properties of condensed matter. The cluster wavefunctions, obtained with molecular orbital theory, make it possible to relate chemical concepts developed to describe chemical bonds in molecules to the very closely related chemical bonding at the surface and in the bulk of condensed matter. The applications of clusters to phenomena in condensed matter is a cross-disciplinary activity which requires the interaction and collaboration of researchers in traditionally separate areas. For example, it is necessary to bring together workers whose background and expertise is molecular chemistry with those whose background is solid state physics. It is also necessary to bring together experimentalists and theoreticians.
