Physics and Chemistry of Finite Systems: From Clusters to Crystals

Recent innovations in experimental techniques such as molecular and cluster beam epitaxy, supersonic jet expansion, matrix isolation and chemical synthesis are increasingly enabling researchers to produce materials by design and with atomic dimension. These materials constrained by sire, shape, and symmetry range from clusters containing as few as two atoms to nanoscale materials consisting of thousands of atoms. They possess unique structuraI, electronic, magnetic and optical properties that depend strongly on their size and geometry. The availability of these materials raises many fundamental questions as weIl as technological possibilities. From the academic viewpoint, the most pertinent question concerns the evolution of the atomic and electronic structure of the system as it grows from micro clusters to crystals. At what stage, for example, does the cluster look as if it is a fragment of the corresponding crystal. How do electrons forming bonds in micro-clusters transform to bands in solids? How do the size dependent properties change from discrete quantum conditions, as in clusters, to boundary constrained bulk conditions, as in nanoscale materials, to bulk conditions insensitive to boundaries? How do the criteria of classification have to be changed as one goes from one size domain to another? Potential for high technological applications also seem to be endless. Clusters of otherwise non-magnetic materials exhibit magnetic behavior when constrained by size, shape, and dimension. NanoscaIe metal particles exhibit non-linear opticaI properties and increased mechanical strength. SimiIarly, materials made from nanoscale ceramic particIes possess plastic behavior.

Contenu

Atomic Structure.- Clusters as a key to the Understanding of Properties as a Function of Size and Dimensionality.- Atomic Structure of Clusters through Chemical Reactions.- Structure of Decagonal Quasicrystals.- Atomic Structure of Quasicrystals with and without Phason Defects.- Structure of Quasi-crystals in terms of Atomic Clusters.- STM Studies of Clusters.- Structure and Transformation: Clusters as Models for Condensed Phases.- Structure Model of the Al-Cu-Co Decagonal Quasicrystal.- Infrared Spectroscopy of SF6 attached to Classical and Quantum Clusters (Finite Size Particles attaining Bulk-like Properties).- Morphology and Structure of Ultrafine Gold Particles.- Magic Numbers of Bimetallic Cluster Ions Consisting of Group-III Metals: The Icosahedric 13 Atom Clusters.- Significant Structure Theory of Molecular Clusters.- On the Origin of the Dendritic Shapes in Goethite Particles.- Structural Fluctuation of Au55 and Au147 Clusters.- A Face Centered Icosahedral Approximant Phase with Local Icosahedral Symmetry.- Defect-FCC Structural Models for Argon Clusters ArN, N ? 500.- Beyond the Icosahedral Glass Model, The Interpenetrating Pseudo-Icosahedral Clusters (IPIC) Model.- Stability and Evolution.- The Geometric Shell Structure of Metal Clusters.- Electronic Shell Structure in Icosahedral Metal Clusters.- Evolutionary Patterns of Structure and Stability of Clusters.- Chemistry of Stable Quasi-crystals.- Structure and Evolution of Nano- and Microcrystalline Grain Aggregates.- Defects in Quasicrystals.- A Computational Quantum Mechanical Study on Weakly Bonded Clusters of NH3 with SO2 and HNC.- Structural Instability by Phason Softening in Icosahedral Quasicrystals.- Positive and Negative Helium Cluster Ions Formed from Supercritical Expansions.- Electronic Structure and Reactivity of Bimetallic Clusters Containing Sodium Atoms.- Metal Clusters: How Many Atoms are Required for Thermionic Emission ?.- Structural and Electronic Properties of Neutral and Charged Mgn Clusters (n ? 13 and n = 57, 69).- Intrinsic Stability of Quasicrystals under the generation of Frenkel Defects.- Determination of the Spin State for Carbon Clusters: Focussing Effect by Hexapole Magnetic Field.- Cluster Relative-Stability Interchanges.- Formation of Clusters in Charged Seeded Expansions of Rare Gas Mixtures.- Dynamics.- Phase Changes for Clusters and for Bulk Matter.- Quantum Molecular Dynamics of Clusters.- Random Cluster Model for Icosahedral Phase AlMnSi.- Size-Dependent Thermodynamic and Electronic Properties of Individual Nanometer-size Supported Gold Clusters.- Inelastic Neutron Scattering from Single Grains of Icosahedral and Cubic Al-Li-Cu.- Structural and Electronic Properties of Pure and Doped Fullerenes.- Vibrational and Electronic Contributions to the Specific Heat of Pd561Phen36O200.- Vibrational States of Al Adsorbed on Ge Clusters.- From Clusters to Liquids: Diffusion, Stokes-Einstein Behavior, and Solvation in Mixed Molecule-Rare Gas Clusters.- Proton Spin Relaxation and Thermal History Effects in Organic Molecular Solids.- A Molecular Dynamics Study of the Solid Phase Transition in Sulphur Hexafluoride Clusters.- Observation of Electronic Shells in Large Lithium Clusters.- Structure and Dynamics of Intermediate Size Aluminium Clusters.- Molecular Dynamics Studies of the Melting and Freezing of CCl4 Clusters.- Melting and Solidification of Ultrafine Particles Investigated by Optical and Electron Microscopy Techniques.- Monte Carlo Studies of Phase Transitions in Clusters of Tellurium Hexafluoride and Benzene.- Vapor Phase Homogeneous Nucleation of Polar Molecules.- Melting of Nickel Clusters.- Phase Changes in Nickel Clusters from an Embedded-Atom Potential.- Structure and Dynamics of Argon Cluster Ions.- Molecular Dynamics Simulation of Infrequent Events: Evaporation from Cold Metallic Clusters.- Computer Simulation of Dynamics of Metal Cluster Impact with Crystal Surface.- Space/Time Spectroscopic Analysis of Laser Vaporization Process from Si Target under Gas Environment.- Structural Transition from Small Clusters to Bulk-like Structures: Ab Initio Molecular Dynamics Study of Li, Be, and B Clusters.- Dynamics of the Cluster-Surface Interaction: Collisional Detachment of Size Selected Carbon Negative Cluster Ions.- On the Spectra, Structure, and Dynamics of Aniline-Arn Clusters: Simulation Studies Compared with the Results of R2P2CISpectroscopy.- Computer Simulation Study of the Evaporation Mechanisms in Lennard-Jones Clusters.- Monte-Carlo Geometry Optimization of Sodium Clusters with a Distance-Dependent Monoelectronic Hamiltonian.- Investigation of the Stable Structures of Nix, Fex, Nix?yPy, Nix?yBy, Fex?yPy, and Fex?yBy (x = 13, y < 13) Microclusters.- Computer Simulation of Freezing and Melting in Transition Metal Clusters.- Electronic Structure.- Superconductivity in M3C60.- Photoelectron Spectroscopy of Alkali Metal Cluster Anions.- Electronic Mechanism for Stability of Quasicrystals.- Superconductivity in Granular Films.- Mössbauer Studies of Quasicrystals.- Small Metal Particles Studied by NMR.- Shape and Size Dependence of Energy Level Degeneracies.- Measurements of Lithium Clusters Ionization Potentials.- Double Zeta Basis Sets in Carbon Cluster Calculations.- Electronic Structure of Deposited Mass-Selected Pt Clusters on Silver Films.- Homonuclear Metallic Microclusters: Structure and Energetics.- Ionization Energies of Large Sodium Clusters: Direct Evidence for Atomic Shell Structure.- Structural and Electronic Properties of Icosahedral Quasicrystals.- Hartree-Fock Investigations of Pure Antimony and Alkali-Antimony Clusters.- Electronic Structures of Metal Clusters on Surface.- A Study of Quantum Monte Carlo Simulation for the Hydrogen Cluster Ions.- A Molecular Orbital Calculation Method Considering Crystal Fields.- Cluster Resonances and Bound States and Crystal Band Spectrum.- Calculation of the Electronic Structure and Magnetic Properties of Iron Microclusters.- Ionization Potentials of Fe Microclusters.- Measurement of Ionization Potentials for Aln, and Fen Clusters.- On the Structures and Stabilities of Small Mixed Clusters.- A Hartree-Fock Study of Small Carbon Cluster Anions.- Electronic Structure and Adduct Geometries in the Chemisorption of Nitr…