Cover Image
Read Now

Surface Crystallography by LEED Theory, Computation and Structural Results

Surface science has experienced an impressive growth in the last two decades. The attention has focussed mainly on single-crystal surfaces with, on the atomic scale, relatively simple and well-defined structures (for example, clean surfaces and such surfaces with limited amounts of additional foreig...

Full description

Bibliographic Details
Main Authors: Hove, M.A. van, Tong, S.Y. (Author)
Format: eBook
Language:English
Published: Berlin, Heidelberg Springer Berlin Heidelberg 1979, 1979
Edition:1st ed. 1979
Series:Springer Series in Chemical Physics
Subjects:
Materials Science
Crystallography
Crystallography And Scattering Methods
Online Access:
Collection: Springer Book Archives -2004 - Collection details see MPG.ReNa
Table of Contents:
  • 5. Calculation of Diffraction Matrices for Single Bravais-Lattice Layers
  • 5.1 Layer Diffraction Matrices
  • 5.2 Subroutine MSMF
  • 5.3 The Intralayer Multiple-Scattering Matrix X
  • 5.4 Scattering Amplitudes and Temperature Effects
  • 6. The Combined Space Method for Composite Layers: by Matrix Inversion
  • 6.1 The Formalism
  • 6.2 Subroutine MTINV
  • 7. The Combined Space Method for Composite Layers: by Reverse Scattering Perturbation
  • 7.1 The Formalism of Reverse Scattering Perturbation (RSP) Theory
  • 7.2 Combining RSP and Matrix Inversion
  • 7.3 Subroutine MPERTI
  • 8. Stacking Layers by Layer Doubling
  • 8.1 The Formalism
  • 8.2 Bulk Treatment: Subroutine SUBREF
  • 8.3 Surface Treatment: Subroutines ADREF1, DBLG, DBG
  • 9. Stacking Layers by Renormalized Forward Scattering (RFS) Perturbation
  • 9.1 The Formalism
  • 9.2 Subroutines RFS03, RFS02 andOthers
  • 10. Assembling a Program: the Main Program and the Input
  • 10.1 Preparing a Calculation
  • 10.2 The Main Program
  • 1. Introduction
  • 1.1 LEED as a Tool for Surface Studies
  • 1.2 Purpose of the Computational Programs
  • 1.3 Physical Processes Included in the Programs
  • 1.4 Capabilities of the Programs
  • 1.5 Size, Speed and Limitations of the Programs
  • 1.6 Relation to Other LEED Programs
  • 1.7 Some Computational Considerations
  • 2. The Physics of LEED
  • 2.1 A Simple Description of the LEED Process: Clean Crystals and Bragg Reflections in One Dimension
  • 2.2 Peak Width and Electron Penetration Depth
  • 2.3 Three-Dimensional Effects
  • 2.4 Overlayer Effects
  • 2.5 Elements of a LEED Theory
  • 3. Basic Aspects of the Programs
  • 3.1 Units and Geometrical Conventions
  • 3.2 Layers, Subplanes and Plane Waves
  • 3.3 Superlattices
  • 3.4 Atomic Scattering and the Calculation of Phase Shifts
  • 3.5 Thermal Vibrations
  • 3.6 Ordering of (?,m) Pairs
  • 4. Symmetry and Its Use
  • 4.1 Symmetry and Registries
  • 4.2 Symmetry Among Beams
  • 4.3 Some Formulas
  • 4.4 Summary
  • 10.3 Explanation of Output
  • 10.4 Main Program for Clean fcc (111) and hcp (0001) Faces, Including Possible Top-Layer Registry Shifts, Using RFS
  • 10.5 Main Program for a Small-Atom p(2×1) Overlayer on a fcc (111) Substrate, Using RSP and RFS
  • 10.6 Main Program for a Clean fcc or bcc (100) Surface, Using RFS
  • 10.7 Main Program for a p(2×2) Overlayer on an fcc or bcc (100) Substrate, Using Layer Doubling
  • 10.8 Main Program for a c(2×2) Overlayer on an fcc or bcc (100) Substrate, with Rumpling of the Topmost Substrate Layer, Using Matrix Inversion and RFS
  • 10.9 Main Program for an Upright Diatomic Molecule on an fcc or bcc (100) Substrate, Using Layer Doubling
  • 11. Subroutine Listings
  • 12. Structural Results of LEED Crystallography
  • 12.1 Non-Metals
  • 12.2 Clean Metals
  • 12.3 Adsorption on Metals
  • 12.4 Bibliography
  • Appendix A. Symmetry Among Plane Waves
  • Appendix B. Lattice Sums Over Sublattices
  • Appendix C. A Line-Printer Plotting Program
  • References

Similar Items