The tutorial treatment of the main concepts of the physics of crystal surfaces emphasizes simplified calculations - and the corresponding detailed analytical derivations - that are able to throw light on the most important physical mechanisms. It will be of particular interest to graduate students beginning research in surface science.

Klappentext

This textbook is intended as an introduction to surface science for graduate students. It began as a course of lectures that we gave at the University of Paris (Orsay). Its main objectives are twofold: to provide the reader with a compre­ hensive presentation of the basic principles and concepts of surface physics and to show the usefulness of these concepts in the real world by referring to experiments. It starts at a rather elementary level since it only requires a knowledge of solid state physics, quantum mechanics, thermodynamics and statistical physics which does not exceed the background usually taught to students early in their university courses. However, since it finally reaches an advanced level, we have tried to render it as self-contained as possible so that it remains accessible even to an unexperienced reader. Furthermore, the emphasis has been put on a pedagogical level rather than on a technical level. In this spirit, whenever possible, models which are simplified, but which contain the features that are essential to the appearance of the phenomena, have been set up and solved in a completely analytical way. The logic should be transparent enough for the reader although, most often, a more rigorous solution would need the use of a computer. To conclude, we have tried to give an account of surface physics which should be of use to the theoretician as well as to the experimentalist. The following comments can be made on the contents of this book.

Inhalt

1. Introduction.- 2. Thermodynamical and Statistical Properties of Clean Surfaces.- 2.1 Thermodynamics of a Surface at Equilibrium.- 2.2 Equilibrium Shape of a Crystal.- 2.3 Facetting.- 2.4 The Roughening Transition.- 2.4.1 Generalities.- 2.4.2 Macroscopic Approach: The Continuum Limit.- a) One Dimensional Case: Statistics of a Step.- b) The Two Dimensional Case: Statistics of a Surface.- 2.4.3 Microscopic Approach.- a) Equilibrium Shape of a Step Edge.- b) Equilibrium Shape of a Surface: The Roughening Transition.- 2.4.4 Consequences of the Roughening Transition for the Equilibrium Shape of Crystals and for Crystal Growth.- 2.4.5 Experimental Evidences of the Roughening Transition.- 2.4.6 Special Cases of Vicinal Surfaces.- 3. Atomic Structure of Surfaces.- 3.1 Surface Crystallography.- 3.1.1 Two-Dimensional Lattices.- 3.1.2 Semi-Infinite Crystals. Relaxation. Reconstruction.- 3.1.3 Notations for Surface Structures.- 3.1.4 Vicinal Surfaces.- 3.1.5 Reciprocal Lattice and Brillouin Zones.- 3.2 Experimental Techniques.- 3.2.1 Observation of the Real Lattice.- a) Field-ion Microscopy (FIM).- b) Scanning Tunneling Microscopy (STM).- 3.2.2 Observation of the Reciprocal Lattice.- a) Principles of Diffraction.- b) Low Energy Electron Diffraction (LEED).- c) Atom Scattering.- d) X-ray Scattering at Grazing Incidence.- 3.2.3 Indirect Methods.- a) Photoelectron Diffraction (PhD).- b) Surface Extended X-ray Absorption Fine Structure (SEXAFS).- c) Other Methods.- 4. Vibrations at Surfaces.- 4.1 Elastic Forces in Crystals.- 4.1.1 Dynamical Matrix.- 4.1.2 Interatomic Forces.- a) Central Forces.- b) Angular Forces.- 4.2 Bulk Modes.- 4.3 Surface Modes.- 4.3.1 Semi-Infinite Linear Chain.- a) M0 ? M.- b) ?0 ? ?.- 4.3.2 Semi-Infinite Crystals.- a) The Slab Method.- b) Exact Method for the Calculation of Surface Modes.- c) Relaxation and Reconstruction of Surfaces from Phonon Calculations.- d) Experimental Determination of Surface Modes.- 4.3.3 Brief Remarks on Adsorbed Layers.- 4.4 Spectral Densities of Modes.- 4.5 Vibrational Thermodynamical Functions.- 4.5.1 Surface Vibrational Entropy.- 4.5.2 Surface Internal Energy.- 4.5.3 Surface Specific Heat at Constant Volume.- 4.6 Mean Square Displacements.- 4.6.1 Theory.- 4.6.2 Experimental Techniques.- a) Diffraction Experiments.- b) PhD and SEXAFS Experiments.- c) Conclusion.- 5. Electronic Structure of Surfaces.- 5.1 Jellium Model.- 5.1.1 The Free Electron Gas Bounded by Infinite Barriers.- a) One-dimensional Electron Gas.- b) Three-dimensional Electron Gas.- 5.1.2 The Free Electron Gas Bounded by Finite Barriers.- 5.1.3 The Jellium Model in the Local Density Functional Formalism.- a) Homogeneous Jellium.- b) General Case.- 5.2 Nearly Free Electron Model-Surface States.- 5.2.1 Nearly Free Electron Model for Bulk States.- 5.2.2 Surface States in Simple Gaps (Gaps of Type A).- 5.2.3 Surface States in Gaps of Type B.- 5.2.4 An Example: Al(001).- a) Band Structure along the $$\bar \Gamma ;\bar {\rm X}$$ Direction.- b) Band Structure along the $$\bar \Gamma ;\bar {\rm M}$$ Direction.- 5.2.5 Semiconductors.- 5.3 Tight-Binding Approximation.- 5.3.1 General Principles.- 5.3.2 Computation Techniques for Semi-Infinite Crystals.- a) The Slab Method.- b) The Continued Fraction Technique.- c) Illustrative Examples.- 5.4 Application of the Tight-Binding Approximation to Transition Metal Surfaces.- 5.4.1 Brief Survey of Bulk Electronic Structure.- a) Band Structure.- b) Cohesive Energy.- 5.4.2 Surface Densities of States and Potential.- 5.4.3 Surface Energies.- 5.4.4 Relaxation and Reconstruction from Energy Calculations.- 5.5 Application of the Tight-Binding Approximation to Semiconductor Surfaces.- 5.5.1 Brief Survey of Bulk Electronic Structure.- a) Band Structure.- b) Cohesive Energy.- 5.5.2 Determination of the Surface Tight-Binding Parameters.- 5.5.3 Qualitative Discussion of Surface States in Semiconductors.- 5.5.4 Examples.- a) The (111) Surface of Si.- b) The (001) Surface of Si.- c) Brief Remarks on Heteropolar Semiconductor Surfaces.- 5.6 Other Methods.- 5.6.1 The Propagation Matrix Method.- a) Formulation of the Method.- b) The Layer KKR Method.- c) The Method of Appelbaum and Hamann.- 5.6.2 Methods Using the Slab Geometry.- a) The Single Slab Geometry.- b) The Periodic Slab Geometry.- 5.7 Surface Plasmons in Metals.- 5.7.1 Summary of Bulk Plasmons in a Jellium.- a) Elementary Classical Theory: the Plasma Frequency.- b) Relation with the Dielectric Function: Dispersion of Plasmons.- 5.7.2 Surface Plasmons in a Jellium.- a) The Simple Case of Charge Oscillations Strictly Localized in the Surface Plane.- b) The Surface Plasmon Dispersion.- 5.7.3 Brief Remarks on the Effects of the Crystal Potential.- a) Bulk Plasmons.- b) Surface Plasmons.- 5.8 Image Potential.- 5.8.1 Response of a Semi-Infinite Jellium to a Uniform External Electric Field.- 5.8.2 Interaction of an External Point Charge with a Semi-Infinite Jellium: the Image Potential.- 5.8.3 Image Potential in a Dielectric Medium.- 5.8.4 Image Surface States.- a) Basics of Image Surface States.- b) A New Formulation of the Criterion for the Existence of Surface States.- c) Determination of the Electron Reflectivity of the Surface Barrier.- d) Determination of the Reflectivity of the Crystal in the Nearly Free Electron Approximation.- e) "An Example: Surface States in the L Gap of Cu(111).- f) Conclusion.- 5.9 Some Further Remarks on Exchange and Correlation Energies.- 5.9.1 Exchange and Correlations in a Semi-Infinite Jellium: Validity of the Local Density Functional Approximation.- 5.9.2 Correlations in the Tight-Binding Formalism: The Hubbard Hamiltonian.- a) Electronic Correlations in a s Band.- b) Electronic Correlations in Degenerate Bands.- c) Influence on the Band Structure and Conclusions.- 5.10 Experimental Techniques for Investigating the Electronic Structure.- 5.10.1 Surface Core Level Spectroscopy.- a) Microscopic Approach.- b) Thermodynamical Model.- c) An Example: Surface Core Level Binding Energy Shifts in Ta and W.- 5.10.2 Photoemission of Valence Electronic States.- a) Principle of the Determination of Dispersion Curves…