Molecular Solid State Physics

This book originated from a course which I developed for the Master's degree course in Molecular Engineering in Kyoto University. Most of the students had degrees in Chemistry and a limited experience of Physics and Mathematics. Since research in Molecular Engineering requires knowledge of some applications of solid state physics which are not treated in conventional physics texts it was necessary to devise a course which would build on their chemical background and enable them to read the contemporary literature of relevance to their research. I hope that this book will be found useful as a text for other advanced courses on material science for chemists. Molecular Engineering is concerned with the design and construction, at the molecular level, of materials which can fulfil specific functions. Thus the study of the forces between molecules and the influence of molecular shapes and electrostatic features on molecular properties are important. The mechanisms whereby, in the solid state, these produce cooperative effects, catalytic effects and abnormal electrical effects must be understood, at least qualitatively. The aim of this book has been to give insight into the mechanisms whereby molecules influence one another when they are close together.

Inhalt
1 Close-Packed Crystals.- 1-1 Introduction.- 1-2 Some simple lattices.- 1-3 The seven crystal systems.- 1-4 The packing of spheres.- 1-5 Forces between atoms.- 1-6 Scaling of the potential.- 1-7 Surface energies.- 1-8 Packing of ellipsoids.- 1-9 Sphere-like molecules and the plastic phase.- 1-10 Origin of the repulsive term.- 2 Ionic Crystals.- 2-1 Introduction.- 2-2 Alkali halide crystal structures.- 2-3 Electrostatic forces.- 2-4 Ionic radii.- 2-5 Scaling the energy.- 2-6 The Pauling rules for ionic crystals.- 2-7 Ferroelectrics.- 2-8 Superconductors.- 2-9 Surface energy.- 2-10 Defects.- 2-11 Colour centres.- 2-12 Ionic melts.- 2-13 Covalent and ionic character.- 3 Molecular Crystals.- 3-1 Introduction.- 3-2 Forces between molecules.- 3-3 Crystal structure.- 3-4 The paraffin crystals.- 3-5 Glass.- 3-6 Molecular vibrations in crystals.- 3-7 Excitons.- 3-8 Crystal engineering.- 4 Valence Crystals.- 4-1 Introduction.- 4-2 Equivalent orbital model of polymers.- 4-3 The model of trans-poly-acetylene.- 4-4 The diamond crystal 6.- 4-5 Elastic constants for diamond.- 4-6 A vacancy in diamond.- 4-7 Semi-conductors.- 4-8 Impurities and doping.- 4-9 The np junction.- 4-10 The pnp transistor.- 4-11 Excited states of trans-poly-acetylene.- 4-12 The SSH model of a soliton.- 5 Metals.- 5-1 Introduction.- 5-2 Small clusters and the Jahn-Teller theorem.- 5-3 Clusters of metal atoms.- 5-4 Larger clusters.- 5-5 Fractal clusters.- 5-6 Corrosion.- 5-7 Metal cohesion.- 5-8 Atom to metal transition.- 5-9 The Hume-Rothery rules for alloys.- 6 Surfaces.- 6-1 Introduction.- 6-2 The surface lattice.- 6-3 Energy of an atom approaching a surface.- 6-4 Clusters as surface models.- 6-5 Oxygen on graphite.- 6-6 Intercalation and graphite fluoride.- 6-7 The McCreery-Wolken model of adsorption.- 6-8 Oxidation of silicon.- 6-9 The absorption of hydrogen in palladium.- 6-10 Penrose tiling.- 7 Cooperative effects.- 7-1 Introduction.- 7-3 The square lattice.- 7-4 Alloys.- 7-5 Melting.- 7-6 Nematic liquid crystals.- 7-7 The smectic-A phase of liquid crystals.- 7-8 Ferromagnets.- 7-9 Ferroelectrics.- 7-10 Ferroelasticity.- Appendix 1 Lattice sums.- Appendix 2 The phase difference method.- Appendix 3 Impurities in bands.- Appendix 4 Second quantization.- Appendix 5 Improved semi-empirical methods.- Appendix 6 The LEPS interaction.- Appendix 7 Green's functions.- Appendix 8 Atomic units.- Author Index.

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