Accession Number : ADA308417

Title :   Electronic Structure of Finite Systems,

Corporate Author : VIRGINIA COMMONWEALTH UNIV RICHMOND

Personal Author(s) : Jena, P. ; Khanna, S. N. ; Rao, B. K.

PDF Url : ADA308417

Report Date : 17 JAN 1996

Pagination or Media Count : 20

Abstract : Using state-of-the-art theoretical techniques, we have studied the role that the size, symmetry and composition play on the electronic properties of finite metallic systems. The work focussed on studying the dissociative chemisorption of hydrogen on cluster surfaces, pairing of hydrogen in transition and rare-earth metals and the effect of symmetry and topology on magnetism in clusters. The systems studied include magnetism of transition metal clusters and quasi-crystals, geometry and electronic structure of metal-carbon complexes, optical properties of compound metal clusters, and hydrogen uptake of neutral and charged metal clusters. Clusters as a building block of a new class of materials and properties of cluster assemblies were also investigated. The studies elucidated the novel physics and chemistry of systems with reduced size, symmetry, and dimensions. The work may lead to technological developments of clusters as a new source of atomically engineered materials.

Descriptors :   *ELECTRONICS, *HYDROGEN, *CLUSTERING, *METAL COMPOUNDS, *CHEMISORPTION, SOURCES, OPTICAL PROPERTIES, MAGNETIC PROPERTIES, TRANSITION METALS, SIZES(DIMENSIONS), ELECTROMAGNETIC PROPERTIES, REDUCTION, SURFACES, CHEMISTRY, TOPOLOGY, PHYSICS, RARE EARTH ELEMENTS, DISSOCIATION, CARBON COMPOUNDS.

Subject Categories : Inorganic Chemistry
      Physical Chemistry
      Electrical and Electronic Equipment
      Electricity and Magnetism

Distribution Statement : APPROVED FOR PUBLIC RELEASE