Electron Scattering in Solid Matter (eBook)

A Theoretical and Computational Treatise

Jan Zabloudil, Robert Hammerling, Lászlo Szunyogh, Peter Weinberger (Autoren)

eBook Download: PDF

2005 | 2005
XVI, 382 Seiten
Springer Berlin (Verlag)
978-3-540-27001-0 (ISBN)

Infos

Addressing graduate students and researchers, this book gives a very detailed theoretical and computational description of multiple scattering in solid matter. Particular emphasis is placed on solids with reduced dimensions, on full potential approaches and on relativistic treatments. For the first time approaches such as the screened Korringa-Kohn-Rostoker method are reviewed, considering all formal steps such as single-site scattering, structure constants and screening transformations, and also the numerical point of view. Furthermore, a very general approach is presented for solving the Poisson equation, needed within density functional theory in order to achieve self-consistency. Special chapters are devoted to the Coherent Potential Approximation and to the Embedded Cluster Method, used, for example, for describing nanostructured matter in real space. In a final chapter, physical properties related to the (single-particle) Green's function, such as magnetic anisotropies, interlayer exchange coupling, electric and magneto-optical transport and spin-waves, serve to illustrate the usefulness of the methods described.

Inhalt

Foreword 6
Contents 7
1 Introduction 16
2 Preliminary definitions 20
3 Multiple scattering 25
4 Shape functions 59
5 Non-relativistic single-site scattering for spherically symmetric potentials 71
6 Non-relativistic full potential single-site scattering 79
7 Spin-polarized non-relativistic single-site scattering 94
8 Relativistic single-site scattering for spherically symmetric potentials 96
9 Relativistic full potential single-site scattering 104
10 Spin-polarized relativistic single-site scattering for spherically symmetric potentials 108
11 Spin-polarized relativistic full potential single-site scattering 121
12 Scalar-relativistic single-site scattering for spherically symmetric potentials 141
13 Scalar-relativistic full potential single-site scattering 146
14 Phase shifts and resonance energies 150
15 Structure constants 156
16 Green’s functions: an in-between summary 172
17 The Screened KKR method for two-dimensional translationally invariant systems 174
18 Charge and magnetization densities 188
19 The Poisson equation and the generalized Madelung problem for two- and three-dimensional translationally invariant systems 213
20 “Near field” corrections 244
21 Practical aspects of full-potential calculations 255
22 Total energies 261
23 The Coherent Potential Approximation 283
24 The embedded cluster method 300
25 Magnetic configurations – rotations of frame 306
26 Related physical properties 317
A Appendix: Useful relations, expansions, functions and integrals 380

Produkt-Details

• Erscheint lt. Verlag: 12.12.2005
• Reihe/Serie: Springer Series in Solid-State Sciences
• Reihe/Serie: Springer Series in Solid-State Sciences
• Zusatzinfo: XVI, 382 p.
• Verlagsort: Berlin
• Sprache: englisch
• Themenwelt: Naturwissenschaften ► Physik / Astronomie ► Atom- / Kern- / Molekularphysik
• Themenwelt: Technik
• Schlagworte: Green's Functions • Helium-Atom-Streuung • magnetism • nanostructures • Relativistic electron theory • scattering theory • stem
• ISBN-10: 3-540-27001-9 / 3540270019
• ISBN-13: 978-3-540-27001-0 / 9783540270010