Metal Surface Electron Physics
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Table of contents
- Contentsiii
- Prefacevii
- Part I: Classical Description of Metal Surface1
- Chapter 1. The geometry of metal crystals and surfaces3
- 1.1 Bravais lattices and metal structures3
- 1.2 Unit cell4
- 1.3 Crystallographic notations7
- 1.4 Some features of the geometrical structure10
- 1.5 Two-dimensional lattices13
- 1.6 Notations of the real surface structure16
- Chapter 2. The surface of real metals19
- 2.1 General remarks19
- 2.2 Lattice relaxation and reconstruction of surfaces21
- 2.3 Vibrations of surface atoms and the Debye temperature27
- Chapter 3. Thermodynamics of the surface of crystal33
- 3.1 Basicnotions33
- 3.2 Equilibrium shape of crystalline particles36
- 3.3 Thermodynamics of microscopic single crystals41
- 3.4 Surface energy, surface tension and surface stress45
- Part II: Quantum Theory of Metal Surface51
- Chapter 4. Electrons in metals53
- 4.1 Sommerfeld’s model53
- 4.2 Infinite and finite potential well58
- 4.3 Jellium model and electrons near metal surface62
- 4.4 Electron gas in the Hartree-Fock approximation65
- 4.5 Exchange and correlation energy68
- 4.6 Fermi hole and the origin of image force69
- 4.7 Stability of jellium71
- 4.8 Surface energy of semi-infinite free-electron gas73
- Chapter 5. Electron density functional theory77
- 5.1 Thomas-Fermi method and its extensions78
- 5.2 Hohenberg-Kohn theory80
- 5.3 Kohn-Sham equations82
- Chapter 6. Electron gas near the metal surface85
- 6.1 Thomas-Fermi electron density profile85
- 6.2 Self-consistent Lang-Kohn method88
- 6.3 Effective potential89
- 6.4 The local density of states91
- Chapter 7. Sum rules and rigorous theorems for jellium surface95
- 7.1 The phase-shift sum rules95
- 7.2 Budd-Vannimenus theorems97
- 7.3 The virial theorem100
- Chapter 8. Surface energy and surface stress103
- 8.1 Surface energy components103
- 8.2 Surface energy of jellium104
- 8.3 Reintroduction of the discrete lattice of ions107
- 8.4 Variational treatment of lattice effects112
- 8.5 Structureless pseudopotential model115
- 8.6 Surface stress119
- Chapter 9. Work function123
- 9.1 The definitions123
- 9.2 Work function of semi-infinite jellium124
- 9.3 Discrete-lattice corrections to the work function128
- Chapter 10. Work function of simple metals: relation between theory and experiment131
- 10.1 Jellium part of the work function – a role of the correlation energy .131
- 10.2 Work function of the ‘real’ metal bounded by the flat surface133
- 10.3 Face-dependent part of work function134
- 10.4 Polycrystalline and face-dependent work functions135
- 10.5 Relation between theory and experiment137
- Chapter 11. Variational electron density profiles: trial functions141
- 11.1 Introduction141
- 11.2 Conditions satisfied by various exact electron density profiles143
- 11.3 Examples of the trial electron density profiles144
- 11.4 Smoluchowski’s density profile and different contributions to the energy146
- Chapter 12. Image potential and image plane153
- 12.1 Limitations of the classical picture . Image plane position153
- 12.2 Linear response of electron system to static perturbing charges157
- 12.3 Response of metal surface to a perturbing charge159
- 12.4 The exchange (Fermi) hole near the metal surface161
- 12.5 Origin of the image potential165
- Chapter 13. Metal surface in a strong external electric field171
- 13.1 Electrostatic field at the surface171
- 13.2 Linear and non-linear contributions to the response177
- 13.3 Effect of the ionic lattice179
- 13.4 Field induced relaxation and field evaporation181
- Chapter 14. Alloy surfaces187
- 14.1 The Vegard law and the volume of formation of an alloy187
- 14.2 Semi-empirical theory of alloy formation189
- 14.3 Surface properties of alkali metal alloys192
- 14.4 Work function of ordered alloys194
- 14.5 Surface segregation198
- Chapter 15. Quantum size effect and small metallic particles203
- 15.1 The notion of size effect203
- 15.2 The non-oscillatory QSE204
- 15.3 Oscillatory quantum size effect206
- 15.4 Small metallic particles213
- 15.5 Magic numbers218
- Part III: Metal Surface in Contact with Other Bodies221
- Chapter 16. Adsorption of alkali atoms on metal surface223
- 16.1 Introduction223
- 16.2 Work function changes due to alkali metal adsorption . Classical picture224
- 16.3 Density-functional calculations227
- 16.4 Relation between theory and experiment237
- 16.5 Sum rules for a metal with an adlayer240
- 16.6 Analytical density profiles for jellium-alkali adlayer system242
- Chapter 17. Adhesion between metal surfaces245
- 17.1 General considerations245
- 17.2 Adhesion of semi-infinite metallic slabs247
- 17.3 Exact relations for bimetallic interfaces253
- 17.4 The force between metal surfaces at small separations256
- Chapter 18. Universal scaling of binding energies263
- 18.1 Scaling of adhesive binding energies263
- 18.2 Universal binding energy curves266
- Appendices273
- Appendix A.273
- A.1 Fundamental constants273
- A.2 Atomic units273
- A.3 The quantities characteristic for the electron gas and screening275
- Appendix B. Planar average of the potential difference δ v(r)277
- Appendix C. Surface correlation energy for the Ceperley-Alder parameterization281
- Appendix D. Linear potential approximation for a metal surface283
- Appendix E. Finite linear potential model287
- References289
- Index299
During the last thirty years metal surface physics, or generally surface science, has come a long way due to the development of vacuum technology and the new surface sensitive probes on the experimental side and new methods and powerful computational techniques on the theoretical side. The aim of this book is to introduce the reader to the essential theoretical aspects of the atomic and electronic structure of metal surfaces and interfaces. The book gives some theoretical background to students of experimental and theoretical physics to allow further exploration into research in metal surface physics.
The book consists of three parts. The first part is devoted to classical description of geometry and structure of metal crystals and their surfaces and surface thermodynamics including properties of small metallic particles. Part two deals with quantum-mechanical description of electronic properties of simple metals. It starts from the free electron gas description and introduces the many body effects in the framework of the density functional theory, in order to discuss the basic surface electronic properties of simple metals. This part outlines also properties of alloy surfaces, the quantum size effect and small metal clusters. Part three gives a succinct description of metal surfaces in contact with foreign atoms and surfaces. It treats the work function changes due to alkali metal adsorption on metals, adhesion between metals and discusses the universal aspects of the binding energy curves. In each case extensive reference lists are provided.