Metal Surface Electron Physics 0080426751
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Preface . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . vii
I Classical Description of Metal Surface |
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1 |
The geometry of metal crystals and surfaces |
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1.1 |
Bravais lattices and metal structures . . . |
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1.2 |
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1.3 |
Crystallographic notations . . . . . . . . . . |
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1.4 |
Some features of the geometrical structure |
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1.5 |
Two-dimensional lattices . . . . . . . . . . . |
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1.6 |
Notations of the real surface structure . . |
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2 |
The surface of real metals |
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2.1 |
General remarks . . . . . . . . . . . . . . . |
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2.2 |
Lattice relaxation and reconstruction of surfaces . . . . . . . . . . . . |
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2.3 |
Vibrations of surface atoms and the |
temperature . . . . . . . . |
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3 Thermodynamics of the surface of crystal |
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3.1 |
Basicnotions . . . . . . . . . . . . . . . . . |
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3.2 |
Equilibrium shape of crystalline particles |
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3.3 |
Thermodynamics of microscopic single crystals . . . . . . . . . . . . . |
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3.4 |
Surface energy, surface tension and surface stress . . . . . . . . . . . . |
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Quantum Theory of Metal Surface |
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Electrons in metals |
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4.1 |
model . . . . . . . . . . . . . |
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4.2 |
Infinite and finite potential well . . . . . . . |
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58 |
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4.3 |
Jellium model and electrons near metal surface . . . . . . . . . . . . . |
62 |
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4.4 |
Electron gas in the Hartree-Fock approximation . . . . . . . . . . . . . |
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4.5 |
Exchange and correlation energy . . . . . . |
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4.6 |
Fermi hole and the origin of image force . |
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4.7 |
Stability of jellium . . . . . . . . . . . . . . |
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4.8 |
Surface energy of semi-infinite free-electron gas . . . . . . . . . . . . . |
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...
111
5 |
Electron density functional theory |
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5.1 |
Thomas-Fermi method and its extensions . . . . . . . . . . . . . . . . |
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5.2 |
Hohenberg-Kohn theory . . . . . . . . . . . . . . . . . . . . . . . . . . |
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5.3 |
Kohn-Sham equations . . . . . . . . . . . . . . . . . . . . . . . . . . . |
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6 Electron gas near the metal surface |
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6.1 |
Thomas-Fermi electron density profile . . . . . . . . . . . . . . . . . . |
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6.2 |
Self-consistent Lang-Kohn method . . . . . . . . . . . . . . . . . . . . |
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6.3 |
Effective potential . . . . . . . . . . . . . . . . . . . . . . . . . . . . . |
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6.4 |
The local density of states . . . . . . . . . . . . . . . . . . . . . . . . . |
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Sum rules and rigorous theorems for jellium surface |
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7.1 |
The phase-shift sum rules . . . . . . . . . . . . . . . . . . . . . . . . . |
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7.2 |
Budd-Vannimenus theorems . . . . . . . . . . . . . . . . . . . . . . . . |
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7.3 |
The virial theorem . . . . . . . . . . . . . . . . . . . . . . . . . . . . . |
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8 Surface energy and surface stress |
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8.1 |
Surface energy components . . . . . . . . . . . . . . . . . . . . . . . . |
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8.2 |
Surface energy of jellium . . . . . . . . . . . . . . . . . . . . . . . . . . |
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8.3 |
Reintroduction of the discrete lattice of ions . . . . . . . . . . . . . . . |
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8.4 |
Variational treatment of lattice effects . . . . . . . . . . . . . . . . . . |
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8.5 |
Structureless pseudopotential model . . . . . . . . . . . . . . . . . . . |
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8.6 |
Surface stress . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . |
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9 |
Work function |
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9.1 |
The definitions . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . |
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9.2 |
Work function of semi-infinite jellium . . . . . . . . . . . . . . . . . . . |
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9.3 |
Discrete-lattice corrections to the work function . . . . . . . . . . . . . |
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10 Work function of simple metals: relation between theory and |
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experiment |
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10.1 Jellium part of the work function .a role of the correlation energy . . |
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10.2 Work function of the metal bounded by the flat surface . . . . . |
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10.3 Face-dependent part of work function . . . . . . . . . . . . . . . . . . |
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10.4 Polycrystalline and face-dependent work functions . . . . . . . . . . . |
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10.5 Relation between theory and experiment . . . . . . . . . . . . . . . . . |
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11 Variational electron density profiles: trial functions |
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11.1 Introduction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . |
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11.2 Conditions satisfied by various exact electron density profiles . . . . . |
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11.3 Examples of the trial electron density profiles . . . . . . . . . . . . . . |
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11.4 Smoluchowski’sdensity profile and different contributions to |
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the energy . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . |
146 |
iv
Image potential and image plane |
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12.1 |
Limitations of the classical picture. Image plane position . . . . . . . . |
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12.2 |
Linear response of electron system to static perturbing charges . . . . |
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12.3 Response of metal surface to a perturbing charge . . . |
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12.4 The exchange (Fermi) hole near the metal surface . . . |
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12.5 |
Origin of the image potential . . . . . . . . . . . . . . . |
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13 Metal surface in a strong external electric field |
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13.1 |
Electrostatic field at the surface . . . . . . . . . . . . . . |
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13.2 |
Linear and non-linear contributions to the response . . |
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13.3 |
Effect of the ionic lattice . . . . . . . . . . . . . . . . . . |
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13.4 |
Field induced relaxation and field evaporation . . . . . |
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14 Alloy surfaces |
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14.1 |
The Vegard law and the volume of formation of an alloy . . . . . . . . |
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14.2 |
Semi-empirical theory of alloy formation . . . . . . . . |
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14.3 |
Surface properties of alkali metal alloys . . . . . . . . |
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14.4 Work function of ordered alloys . . . . . . . . . . . . . . |
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14.5 |
Surface segregation . . . . . . . . . . . . . . . . . . . . . |
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15 Quantum size effect and small metallic particles |
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15.1 |
The notion of size effect . . . . . . . . . . . . . . . . . . |
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15.2 |
The non-oscillatory QSE . . . . . . . . . . . . . . . . . . |
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15.3 |
Oscillatory quantum size effect . . . . . . . . . . . . . . |
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15.4 Small metallic particles . . . . . . . . . . . . . . . . . . |
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15.5 |
Magic numbers . . . . . . . . . . . . . . . . . . . . . . . |
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Metal Surface in Contact with Other Bodies |
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16 Adsorption of alkali atoms on metal surface |
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16.1 |
Introduction . . . . . . . . . . . . . . . . . . . . . . . . . |
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16.2 Work function changes due to alkali metal adsorption. Classical |
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picture . . . . . . . . . . . . . . . . . . . . . . . . . . . . |
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16.3 |
Density-functional calculations . . . . . . . . . . . . . . |
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16.3.1 The model of . . . . . . . . . |
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16.3.2 The adsorption of single alkali atoms on metallic substrate . . |
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16.4 |
Relation between theory and experiment . . . . . . . . |
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16.5 |
Sum rules for a metal with an adlayer . . . . . . . . . |
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16.5.1 Phase-shift sum rule. . . . . . . . . . . . . . . . . |
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16.5.2 Budd-Vannimenus theorem for a |
system . . . . . |
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16.6 Analytical density profiles for jellium-alkali adlayer system . . . . . . . |
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V
17 Adhesion between metal surfaces |
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17.1General considerations . . . . . . . . . . . . . . . . . . . . . . . . . . . 245
17.2Adhesion of semi-infinite metallic slabs . . . . . . . . . . . . . . . . . . 247
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263
18.1Scaling of adhesive binding energies . . . . . . . . . . . . . . . . . . . 263
18.2Universal binding energy curves . . . . . . . . . . . . . . . . . . . . . . 266
Appendices
A |
Fundamental constants . . . . . . . . . . . . . . . . . . . . . . . . . . . |
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A . l |
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A.2 |
Atomic units . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . |
273 |
A.3 |
The quantities characteristic for the electron gas and screening . . . . |
275 |
B Planar average of the potential difference |
277 |
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C Surface correlation energy for the Ceperley-Alder |
281 |
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parameterization |
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D Linear potential approximation for a metal surface |
283 |
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E Finite linear potential model |
287 |
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References |
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Index |
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