Multiple Scattering Theory Electronic Structure Of Solids
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Multiple Scattering Theory
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Author : Dr J. S. Faulkner
language : en
Publisher: Iph001
Release Date : 2018-12-27
Multiple Scattering Theory written by Dr J. S. Faulkner and has been published by Iph001 this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-12-27 with Science categories.
In 1947, it was discovered that multiple scattering theory (MST) can be used to solve the Schröedinger equation for the stationary states of electrons in a solid. Written by experts in the field, J S Faulkner, G Malcolm Stocks and Yang Wang, this book collates the results of numerous studies in the field of MST and provides a comprehensive, systematic approach to it. For many scientists, students and engineers working with multiple scattering programmes, this will be a useful guide to help expand the existing knowledge of MST as well as understanding its future implications.
Multiple Scattering Theory Electronic Structure Of Solids
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Author : J. S. Faulkner
language : en
Publisher: Institute of Physics Publishing
Release Date : 2018-12-27
Multiple Scattering Theory Electronic Structure Of Solids written by J. S. Faulkner and has been published by Institute of Physics Publishing this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-12-27 with Science categories.
In 1947, it was discovered that multiple scattering theory (MST) can be used to solve the Schröedinger equation for the stationary states of electrons in a solid. Written by experts in the field, J S Faulkner, G Malcolm Stocks and Yang Wang, this book collates the results of numerous studies in the field of MST and provides a comprehensive, systematic approach to it. For many scientists, students and engineers working with multiple scattering programmes, this will be a useful guide to help expand the existing knowledge of MST as well as understanding its future implications.
Multiple Scattering In Solids
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Author : Antonios Gonis
language : en
Publisher: Springer Science & Business Media
Release Date : 1999-12-28
Multiple Scattering In Solids written by Antonios Gonis 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 1999-12-28 with Science categories.
A description of general techniques for solving linear partial differential equations by dividing space into regions to which the equations are independently applied and then assembling a global solution from the partial ones. Intended for researchers and graduates involved in calculations of the electronic structure of materials, this will also be of interest to workers in quantum chemistry, electron microscopy, acoustics, optics, and other fields. The book begins with an intuitive approach to scattering theory and then turns to partial waves and a formal development of multiple scattering theory, with applications to the solid state. The authors then present a variational derivation of the formalism and an augmented version of the theory, concluding with a discussion of the relativistic formalism and a discussion of the Poisson equation. Appendices discuss Green's functions, spherical functions, Moller operators and the Lippmann-Schwinger equation, irregular solutions, and singularities in Green's functions.
Multiple Scattering In Solids
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Author : Antonios Gonis
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Multiple Scattering In Solids written by Antonios Gonis 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 origins of multiple scattering theory (MST) can be traced back to Lord Rayleigh's publication of a paper treating the electrical resistivity of an ar ray of spheres, which appeared more than a century ago. At its most basic, MST provides a technique for solving a linear partial differential equa tion defined over a region of space by dividing space into nonoverlapping subregions, solving the differential equation for each of these subregions separately and then assembling these partial solutions into a global phys ical solution that is smooth and continuous over the entire region. This approach has given rise to a large and growing list of applications both in classical and quantum physics. Presently, the method is being applied to the study of membranes and colloids, to acoustics, to electromagnetics, and to the solution of the quantum-mechanical wave equation. It is with this latter application, in particular, with the solution of the SchrOdinger and the Dirac equations, that this book is primarily concerned. We will also demonstrate that it provides a convenient technique for solving the Poisson equation in solid materials. These differential equations are important in modern calculations of the electronic structure of solids. The application of MST to calculate the electronic structure of solid ma terials, which originated with Korringa's famous paper of 1947, provided an efficient technique for solving the one-electron Schrodinger equation.
Multiple Scattering Theory For Spectroscopies
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Author : Didier Sébilleau
language : en
Publisher: Springer
Release Date : 2018-04-05
Multiple Scattering Theory For Spectroscopies written by Didier Sébilleau and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-04-05 with Science categories.
This edited book, based on material presented at the EU Spec Training School on Multiple Scattering Codes and the following MSNano Conference, is divided into two distinct parts. The first part, subtitled “basic knowledge”, provides the basics of the multiple scattering description in spectroscopies, enabling readers to understand the physics behind the various multiple scattering codes available for modelling spectroscopies. The second part, “extended knowledge”, presents “state- of-the-art” short chapters on specific subjects associated with improving of the actual description of spectroscopies within the multiple scattering formalism, such as inelastic processes, or precise examples of modelling.
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.
Electronic Structure And Magneto Optical Properties Of Solids
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Author : Victor Antonov
language : en
Publisher: Springer Science & Business Media
Release Date : 2006-05-05
Electronic Structure And Magneto Optical Properties Of Solids written by Victor Antonov 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 2006-05-05 with Science categories.
The aim of this book is to review recent achievements in thetheoretical investigations of the electronic structure, optical, magneto-optical (MO), and x-ray magnetic circular dichroism (XMCD)properties of compounds and Multilayered structures.Chapter 1 of this book is of an introductory character and presentsthe theoretical foundations of the band theory of solids such as thedensity functional theory for ground state properties of solidsincluding local density approximation (LDA). It also presents somemodifications to the LDA, such as gradient correction, self-interaction correction, LDA+U method, orbital polarizationcorrection, GW approximation, and dynamical mean- field theory. Thedescription of the magneto-optical effects and linear response theoryare also presented.The book describes the MO properties for a number of 3d materials, such as elemental ferromagnetic metals (Fe, Co and Ni) andparamagnetic metals in external magnetic fields (Pd and Pt), someimportant 3d compounds such as XPt3 (X=V, Cr, Mn, Fe and Co), Heusleralloys, chromium spinel chalcogenides, MnB and strongly correlatedmagnetite Fe304. It also describes the recent achievements in both theexperimental and theoretical investigations of the electronicstructure, optical and MO properties of transition metal multilayeredstructures (MLS).The book presents also the MO properties of f band ferromagneticmaterials: Tm, Nd, Sm, Ce and La monochalcogenides, some important Y
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.
Modelling Atomic Arrangements In Multicomponent Alloys
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Author : Christopher D. Woodgate
language : en
Publisher: Springer Nature
Release Date : 2024-08-11
Modelling Atomic Arrangements In Multicomponent Alloys written by Christopher D. Woodgate and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-08-11 with Science categories.
This book provides a comprehensive overview of a computationally efficient approach for modelling the phase behaviour of multicomponent alloys from first principles, describing both short- and long-range atomic ordering tendencies. The study of multicomponent alloy systems, which combine three or more base elements in near-equal ratios, has garnered significant attention in materials science due to the potential for the creation of novel materials with superior properties for a variety of applications. High-entropy alloys, which contain four or more base elements, have emerged as a particularly fascinating subset of these systems, demonstrating extraordinary strength and fracture resistance, among other desirable properties. The book presents a novel modelling approach for studying the phase behaviour of these systems, which is based on a perturbative analysis of the internal energy of the disordered alloy as evaluated within the Korringa–Kohn–Rostoker (KKR) formulation of density functional theory (DFT), using the coherent potential approximation (CPA) to average over chemical disorder. Application of a Landau-type theory to an approximate form of the Gibbs free energy enables direct inference of chemical disorder/order transitions. In addition, the perturbative analysis facilitates extraction of atom-atom effective pair interactions for further atomistic simulations. The connection between the arrangement of atoms in a material and its magnetic properties is also studied. By outlining and applying the proposed modelling techniques to several systems of interest, this book serves as a valuable resource for materials scientists, physicists, and chemists alike, seeking to understand and develop new alloy systems with enhanced materials properties.
Advances In Density Functional Theory And Beyond For Computational Chemistry
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Author : Wei Hu
language : en
Publisher: Frontiers Media SA
Release Date : 2021-09-13
Advances In Density Functional Theory And Beyond For Computational Chemistry written by Wei Hu and has been published by Frontiers Media SA this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-09-13 with Science categories.