Handbook Of The Band Structure Of Elemental Solids
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Handbook Of The Band Structure Of Elemental Solids
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Author : Dimitris A. Papaconstantopoulos
language : en
Publisher: Springer
Release Date : 2014-11-10
Handbook Of The Band Structure Of Elemental Solids written by Dimitris A. Papaconstantopoulos and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2014-11-10 with Science categories.
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.
Handbook Of The Band Structure Of Elemental Solids
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Author : D. A. Papaconstantopoulos
language : en
Publisher: Plenum Publishing Corporation
Release Date : 1986
Handbook Of The Band Structure Of Elemental Solids written by D. A. Papaconstantopoulos and has been published by Plenum Publishing Corporation this book supported file pdf, txt, epub, kindle and other format this book has been release on 1986 with Science categories.
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.
Electronic Structure And Physical Properties Of Solids
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Author : Hugues Dreysse
language : en
Publisher: Springer
Release Date : 2008-01-11
Electronic Structure And Physical Properties Of Solids written by Hugues Dreysse and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2008-01-11 with Science categories.
A very comprehensive book, enabling the reader to understand the basic formalisms used in electronic structure determination and particularly the "Muffin Tin Orbitals" methods. The latest developments are presented, providing a very detailed description of the "Full Potential" schemes. This book will provide a real state of the art, since almost all of the contributions on formalism have not been, and will not be, published elsewhere. This book will become a standard reference volume. Moreover, applications in very active fields of today's research on magnetism are presented. A wide spectrum of such questions is covered by this book. For instance, the paper on interlayer exchange coupling should become a "classic", since there has been fantastic experimental activity for 10 years and this can be considered to be the "final" theoretical answer to this question. This work has never been presented in such a complete form.
Solid State Theory Volume 1
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Author : Gerd Czycholl
language : en
Publisher: Springer Nature
Release Date : 2023-01-04
Solid State Theory Volume 1 written by Gerd Czycholl and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-01-04 with Science categories.
The textbooks “Solid State Theory" give an introduction to the methods, contents and results of modern solid state physics in two volumes. This first volume has the basic courses in theoretical physics as prerequisites, i.e. knowledge of classical mechanics, electrodynamics and, in particular, quantum mechanics and statistical physics is assumed. The formalism of second quantization (occupation number representation), which is needed for the treatment of many-body effects, is introduced and used in the book. The content of the first volume deals with the classical areas of solid state physics (phonons and electrons in the periodic potential, Bloch theorem, Hartree-Fock approximation, density functional theory, electron-phonon interaction). The first volume is already suitable for Bachelor students who want to go beyond the basic courses in theoretical physics and get already familiar with an application area of theoretical physics, e.g. for an elective subject "Theoretical (Solid State) Physics" or as a basis for a Bachelor thesis. Every solid-state physicist working experimentally should also be familiar with the theoretical methods covered in the first volume. The content of the first volume can therefore also be the basis for a module "Solid State Physics" in the Master program in Physics or, together with the content of the 2nd volume, for a module "Theoretical Solid State Physics" or "Advanced Theoretical Physics". The following second volume covers application areas such as superconductivity and magnetism to areas that are current research topics (e.g. quantum Hall effect, high-temperature superconductivity, low-dimensional structures).
Computational Materials Science
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Author : Kaoru Ohno
language : en
Publisher: Springer
Release Date : 2018-04-14
Computational Materials Science written by Kaoru Ohno and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-04-14 with Technology & Engineering categories.
This textbook introduces modern techniques based on computer simulation to study materials science. It starts from first principles calculations enabling to calculate the physical and chemical properties by solving a many-body Schroedinger equation with Coulomb forces. For the exchange-correlation term, the local density approximation is usually applied. After the introduction of the first principles treatment, tight-binding and classical potential methods are briefly introduced to indicate how one can increase the number of atoms in the system. In the second half of the book, Monte Carlo simulation is discussed in detail. Problems and solutions are provided to facilitate understanding. Readers will gain sufficient knowledge to begin theoretical studies in modern materials research. This second edition includes a lot of recent theoretical techniques in materials research. With the computers power now available, it is possible to use these numerical techniques to study various physical and chemical properties of complex materials from first principles. The new edition also covers empirical methods, such as tight-binding and molecular dynamics.
Physical Structure
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Author :
language : en
Publisher: Elsevier
Release Date : 1996-12-06
Physical Structure written by and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 1996-12-06 with Technology & Engineering categories.
The primary goal of this book is to summarize the current level of accumulated knowledge about the physical structure of solid surfaces with emphasis on well-defined surfaces at the gas-solid and vacuum-solid interfaces. The intention is not only to provide a standard reference for practitioners, but also to provide a good starting point for scientists who are just entering the field. The presentation in most of the chapters therefore assumes that the typical reader will have a good undergraduate background in chemistry, physics, or materials science. At the same time, coverage is comprehensive and at a high technical level with emphasis on fundamental physical principles. This first volume in a new series is appropriately devoted to the physical structure of surfaces, knowledge of which will be essential for a complete understanding of electronic properties and dynamical processes, the topics of the next two volumes in the series.The volume is divided into four parts. Part I describes the equilibrium properties of surfaces with emphasis on clean surfaces of bulk materials. Part II provides an introduction to some of the primary experimental methods that are used to determine surface crystal structures. Part III gives an overview of the vast topic of the structure of adsorbed layers. The concluding Part IV deals with the topics of defects in surface structures and phase transitions.
Computer Aided Innovation Of New Materials
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Author : J. Kihara
language : en
Publisher: Elsevier
Release Date : 2012-12-02
Computer Aided Innovation Of New Materials written by J. Kihara and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-02 with Science categories.
This volume brings together the experience of specialists in the entire field of applications of Materials Science. The volume contains 196 of the excellent papers presented at the conference. This multidisciplinary meeting was held to bring together workers in a wide range of materials science and engineering activities who employ common analytical and experimental methods in their day to day work. The results of the meeting are of worldwide interest, and will help to stimulate future research and analysis in this area.
Physics Of Amorphous Metals
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Author : Nikolai P. Kovalenko
language : en
Publisher: John Wiley & Sons
Release Date : 2008-09-08
Physics Of Amorphous Metals written by Nikolai P. Kovalenko and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2008-09-08 with Science categories.
The discovery of bulk metallic glasses has led to a large increase in the industrial importance of amorphous metals, and this is expected to continue. This book is the first to describe the theoretical physics of amorphous metals, including the important theoretical development of the last 20 years. The renowned authors stress the universal aspects in their description of the phonon or magnon low-energy excitations in the amorphous metals, e.g. concerning the remarkable consequences of the properties of these excitations for the thermodynamics at low and intermediate temperatures. Tunneling excitations - another universal aspect of amorphous systems and responsible for many of their properties - is also intensively treated. Although the book is focused on analytical approaches, it also describes the numerical calculation of the atomic structure, the electronic excitations, and the itinerant magnetic properties of amorphous metallic alloys, while considering modern applications. While both theorists and experimentalist interested in amorphous metals will profit from this book, it will also be useful supplementary reading in courses on solid-state physics and material sciences.
C H N And O In Si And Characterization And Simulation Of Materials And Processes
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Author : A. Borghesi
language : en
Publisher: Newnes
Release Date : 2012-12-02
C H N And O In Si And Characterization And Simulation Of Materials And Processes written by A. Borghesi and has been published by Newnes this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-02 with Technology & Engineering categories.
Containing over 200 papers, this volume contains the proceedings of two symposia in the E-MRS series. Part I presents a state of the art review of the topic - Carbon, Hydrogen, Nitrogen and Oxygen in Silicon and in Other Elemental Semiconductors. There was strong representation from the industrial laboratories, illustrating that the topic is highly relevant for the semiconductor industry.The second part of the volume deals with a topic which is undergoing a process of convergence with two concerns that are more particularly application oriented. Firstly, the advanced instrumentation which, through the use of atomic force and tunnel microscopies, high resolution electron microscopy and other high precision analysis instruments, now allows for direct access to atomic mechanisms. Secondly, the technological development which in all areas of applications, particularly in the field of microelectronics and microsystems, requires as a result of the miniaturisation race, a precise mastery of the microscopic mechanisms.
Energy Level Alignment And Electron Transport Through Metal Organic Contacts
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Author : Enrique Abad
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-09-15
Energy Level Alignment And Electron Transport Through Metal Organic Contacts written by Enrique Abad and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-09-15 with Science categories.
In recent years, ever more electronic devices have started to exploit the advantages of organic semiconductors. The work reported in this thesis focuses on analyzing theoretically the energy level alignment of different metal/organic interfaces, necessary to tailor devices with good performance. Traditional methods based on density functional theory (DFT), are not appropriate for analyzing them because they underestimate the organic energy gap and fail to correctly describe the van der Waals forces. Since the size of these systems prohibits the use of more accurate methods, corrections to those DFT drawbacks are desirable. In this work a combination of a standard DFT calculation with the inclusion of the charging energy (U) of the molecule, calculated from first principles, is presented. Regarding the dispersion forces, incorrect long range interaction is substituted by a van der Waals potential. With these corrections, the C60, benzene, pentacene, TTF and TCNQ/Au(111) interfaces are analyzed, both for single molecules and for a monolayer. The results validate the induced density of interface states model.