The Lmto Method

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The Lmto Method

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Author : Hans L. Skriver
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06

The Lmto Method written by Hans L. Skriver 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 2012-12-06 with Science categories.

The simplifications of band-structure calculations which are now referred to as linear methods were introduced by Ole K. Andersen almost ten years ago. Since then these ideas have been taken up by several workers in the field and translated into computer programmes that generate the band structure of almost any material. As a result, running times on computers have been cut by orders of magnitude. One of the strong motivations behind the original proposal was a desire to give the conventional methods' a physically meaningful content which could be understood even by the non-specialist. Unfortunately, this aspect of lin ear methods seems to have been less well appreciated, and most workers are content to use the latter as efficient computational schemes. The present book is intended to give a reasonably complete description of one particular linear method, the Linear Muffin-Tin Orbital (LMTO) method, without losing sight of the physical content of the technique. It is also meant as a guide to the non-specialist who wants to perform band-structure calculations of his own, for example, to interpret experimental results. For this purpose the book contains a set of computer programmes which allow the user to perform full-scale self-consistent band-structure calculations by means of the LMTO method. In addition, it contains a listing of self-con sistent potential parameters which, for instance, may be used to generate the energy bands of metallic elements.

The Lmto Method

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Author : Hans L Skriver
language : en
Publisher:
Release Date : 1983-12-01

The Lmto Method written by Hans L Skriver and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1983-12-01 with categories.

Full Potential Electronic Structure Method

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Author : John M. Wills
language : en
Publisher: Springer Science & Business Media
Release Date : 2010-12-01

Full Potential Electronic Structure Method written by John M. Wills 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 2010-12-01 with Science categories.

This is a book describing electronic structure theory and application within the framework of a methodology implemented in the computer code RSPt. In 1986, when the code that was to become RSPt was developed enough to be useful, it was one of the ?rst full-potential, all-electron, relativistic implem- tations of DFT (density functional theory). While RSPt was documented p- asitically in many publications describing the results of its application, it was many years before a publication explicitly describing aspects of the method appeared. In the meantime, several excellent all-electron, full-potential me- ods had been developed, published, and become available. So why a book about RSPt now? The code that became RSPt was initially developed as a personal research tool, rather than a collaborative e?ort or as a product. As such it required some knowledge of its inner workings to use, and as it was meant to be m- imally ?exible, the code required experience to be used e?ectively. These - tributes inhibited, but did not prevent, the spread of RSPt as a research tool. While applicable across the periodic table, the method is particularly useful in describing a wide range of materials, including heavier elements and c- pounds, and its ?exibility provides targeted accuracy and a convenient and accurate framework for implementing and assessing the e?ect of new models.

A Modern Course In The Quantum Theory Of Solids

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Author : Fuxiang Han
language : en
Publisher: World Scientific
Release Date : 2013

A Modern Course In The Quantum Theory Of Solids written by Fuxiang Han and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013 with Science categories.

This book contains advanced subjects in solid state physics with emphasis on the theoretical exposition of various physical phenomena in solids using quantum theory, hence entitled "A modern course in the quantum theory of solids." The use of the adjective "modern" in the title is to reflect the fact that some of the new developments in condensed matter physics have been included in the book. The new developments contained in the book are mainly in experimental methods (inelastic neutron scattering and photoemission spectroscopy), in magnetic properties of solids (the itinerant magnetism, the superexchange, the Hubbard model, and giant and colossal magnetoresistance), and in optical properties of solids (Raman scattering). Besides the new developments, the Green's function method used in many-body physics and the strong-coupling theory of superconductivity are also expounded in great details.

Introduction To The Electron Theory Of Metals

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Author : Uichiro Mizutani
language : en
Publisher: Cambridge University Press
Release Date : 2001-06-14

Introduction To The Electron Theory Of Metals written by Uichiro Mizutani and has been published by Cambridge University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2001-06-14 with Science categories.

The electron theory of metals describes how electrons are responsible for the bonding of metals and subsequent physical, chemical and transport properties. This textbook gives a complete account of electron theory in both periodic and non-periodic metallic systems. The author presents an accessible approach to the theory of electrons, comparing it with experimental results as much as possible. The book starts with the basics of one-electron band theory and progresses to cover topics such as high Tc superconductors and quasicrystals. The relationship between theory and potential applications is also emphasized. The material presented assumes some knowledge of elementary quantum mechanics as well as the principles of classical mechanics and electromagnetism. This textbook will be of interest to advanced undergraduates and graduate students in physics, chemistry, materials science and electrical engineering. The book contains numerous exercises and an extensive list of references and numerical data.

Atomistic Simulation Of Quantum Transport In Nanoelectronic Devices With Cd Rom

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Author : Yu Zhu
language : en
Publisher: World Scientific
Release Date : 2016-05-20

Atomistic Simulation Of Quantum Transport In Nanoelectronic Devices With Cd Rom written by Yu Zhu and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-05-20 with Technology & Engineering categories.

Computational nanoelectronics is an emerging multi-disciplinary field covering condensed matter physics, applied mathematics, computer science, and electronic engineering. In recent decades, a few state-of-the-art software packages have been developed to carry out first-principle atomistic device simulations. Nevertheless those packages are either black boxes (commercial codes) or accessible only to very limited users (private research codes). The purpose of this book is to open one of the commercial black boxes, and to demonstrate the complete procedure from theoretical derivation, to numerical implementation, all the way to device simulation. Meanwhile the affiliated source code constitutes an open platform for new researchers. This is the first book of its kind. We hope the book will make a modest contribution to the field of computational nanoelectronics.

Lectures On Methods Of Electronic Structure Calculations Proceedings Of The Miniworkshop On Methods Of Electronic Structure Calculations And Working Group On Disordered Alloys

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Author : Ole Krogh Andersen
language : en
Publisher: World Scientific
Release Date : 1995-02-23

Lectures On Methods Of Electronic Structure Calculations Proceedings Of The Miniworkshop On Methods Of Electronic Structure Calculations And Working Group On Disordered Alloys written by Ole Krogh Andersen and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 1995-02-23 with Science categories.

Developments in the density functional theory and the methods of electronic structure calculations have made it possible to carry out ab-initio studies of a variety of materials efficiently and at a predictable level. This book covers many of those state-of-the-art developments and their applications to ordered and disordered materials, surfaces and interfaces and clusters, etc.

Electronic Structure

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Author : Richard M. Martin
language : en
Publisher: Cambridge University Press
Release Date : 2004-04-08

Electronic Structure written by Richard M. Martin and has been published by Cambridge University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2004-04-08 with Science categories.

An important graduate textbook in condensed matter physics by highly regarded physicist.

Computational Methods In Solid State Physics

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Author : V V Nemoshkalenko
language : en
Publisher: CRC Press
Release Date : 1999-02-19

Computational Methods In Solid State Physics written by V V Nemoshkalenko and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 1999-02-19 with Science categories.

The combination of theoretical physics methods, numerical mathematics and computers has given rise to a new field of physics known as "computational physics." The purpose of this monograph is to present the various methods of computational physics, in particular the methods of band theory. The first chapter of the book provides an introduction to the field and presents the theoretical foundations of band theory. In the second and third chapters the authors describe both traditional and more modern methods of band theory and include practical recommendations for their use. Methods which are discussed include APW (augmented plane wave), Green's function method, LMTO (linear method of MT- orbitals), LKKR (linear Korringer, Kohn and Rostocker method), LAPW (linear augmented plane wave), ASW (augmented spherical waves), and LASO (linear method of augmented Slater orbitals). Great attention is paid to the practical aspects of these theories and the book is structured in such a way as to enable the reader to use any method in practice without reference to other sources.

Phase Transformations

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Author : Srikumar Banerjee
language : en
Publisher: Elsevier
Release Date : 2010-05-31

Phase Transformations written by Srikumar Banerjee and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2010-05-31 with Technology & Engineering categories.

The terms phase transitions and phase transformations are often used in an interchangeable manner in the metallurgical literature. In Phase Transformations, transformations driven by pressure changes, radiation and deformation and those occurring in nanoscale multilayers are brought to the fore. Order-disorder transformations, many of which constitute very good examples of continuous transformations, are dealt with in a comprehensive manner. Almost all types of phase transformations and reactions that are commonly encountered in inorganic materials are covered and the underlying thermodynamic, kinetic and crystallographic aspects elucidated. - Shows readers the advancements in the field - due to enhanced computing power and superior experimental capability - Drawing upon the background and the research experience of the authors, bringing together a wealth of experience - Written essentially from a physical metallurgists view point