Multiple scattering theory :electronic structure of solids /

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Multiple scattering theory :electronic structure of solids /

Faulkner, J. S., - Personal Name; Institute of Physics (Great Britain), - Personal Name; Stocks, G. M., - Personal Name; Wang, Yang - Personal Name;

"Version: 20181201"--Title page verso.Includes bibliographical references.1. History of multiple scattering theory -- 2. Scattering theory -- 2.1. Potential scattering -- 2.2. Position representation -- 2.3. The classic scattering experiment -- 2.4. Angular momentum expansion -- 2.5. Non-spherical potentials with finite domains -- 2.6. Spherical potentials -- 2.7. Analytical properties of scattering matrices3. Multiple scattering equations -- 3.1. Derivation of multiple scattering equations -- 3.2. Approximations -- 3.3. Proof of Korringa's hypothesis -- 3.4. The Korringa-Kohn-Rostoker band theory -- 3.5. Constant energy surfaces -- 3.6. Space-filling potentials -- 3.7. Pivoted multiple scattering -- 3.8. Wave functions4. Green's functions -- 4.1. The free-particle Green's functions and its adjoint -- 4.2. The Green's function for one scatterer -- 4.3. The Green's function for N scatterers -- 4.4. The Green's function for an infinite periodic lattice -- 4.5. The use of a complex energy -- 4.6. Full potential calculations -- 4.7. The Green's function for an impurity embedded in a periodic lattice5. MST for systems with no long range order -- 5.1. The supercell method -- 5.2. An order-N method for large systems -- 5.3. Magnetism -- 5.4. The coherent potential approximation for random alloys -- 5.5. The spectral density function -- 5.6. Resistivity -- 5.7. The polymorphous CPA -- 5.8. Historical studies of alloys6. Spectral theory in multiple scattering theory -- 6.1. Krein's theorem -- 6.2. Calculations with real potentials using Krein's theorem -- 6.3. Lloyd's formula and Krein's theorem7. Toy models -- 7.1. The Kronig-Penney model -- 7.2. The transfer matrix approach -- 7.3. The MST approach -- 7.4. The Kronig-Penney model of a disordered alloy -- 7.5. The average trace method -- 7.6. The coherent potential approximation -- 7.7. Lloyd's formula for the Kronig-Penney model -- 7.8. The spherical square well8. Relativistic full potential MST calculations -- 8.1. The Dirac equation -- 8.2. Relativistic Green's function -- 8.3. Some examples9. Applications of MST -- 9.1. Incommensurate concentration waves -- 9.2. Correlations and order in alloy concentrations -- 9.3. The embedded cluster Monte-Carlo method -- 9.4. High entropy alloys -- 10. Conclusions : beautiful minds.In 1947, it was discovered that multiple scattering theory can be used to solve the Schr?odinger equation for the stationary states of electrons in a solid. Written by experts in the field, Dr. J S Faulkner, G M Stocks, and Yang Wang, this book collates the results of numerous studies in the field of multiple scattering theory and provides a comprehensive, systematic approach to MSTs.Also available in print.Mode of access: World Wide Web.System requirements: Adobe Acrobat Reader, EPUB reader, or Kindle reader.Professor John Samuel Faulkner obtained his PhD in physics from The Ohio State University, and is currently professor emeritus of Florida Atlantic University. Professor Faulkner has celebrated a career in physics for over five decades and has numerous publications in professional journals and articles. G.M. Stocks is a corporate fellow at Oak Ridge National Laboratory and gained his PhD in theoretical physics from the University of Sheffield. Dr. Stocks is a major developer of a number of first principles electronic structure methods and has published in numerous scientific publications. Dr. Yang Wang obtained his Physics PhD from Florida Atlantic University and currently a Senior Computational Scientist at Pittsburgh Supercomputing Centre. Dr. Wang notably developed a linear scaling quantum mechanical simulation code to study electronic and magnetic structures of metals and alloys."Title from PDF title page (viewed on January 16, 2019).

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Series Title: -
Call Number: -
Publisher: : .,
Collation: 1 online resource (various pagings) :illustrations (some color).
Language: English
ISBN/ISSN: 9780750314909
Classification: 530.4/16
Content Type: -
Media Type: -
Carrier Type: -
Edition: -
Subject(s): SCIENCE / Physics / Electromagnetism.
Multiple scattering (Physics)
Energy-band theory of solids.
Materials / States of matter.
Specific Detail Info: -
Statement of Responsibility: J.S. Faulkner, G. Malcolm Stocks, Yang Wang.

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