........ published in NEWSLETTER # 48
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........ published in NEWSLETTER # 48
CLUSTER MODELS FOR SURFACE AND BULK PHENOMENA
by Professor G. Pacchioni, University of Milan, Milan (Italy), Dr. P.S. Bagus, IBM Almaden Research Center, San Jose (U.S.A.) and Dr. F. Parmigiani, CISE, Milan (Italy)
It is widely recognized that an understanding of the physical and chemical properties of clusters will give a great deal of important information relevant to surface and bulk properties of condensed matter. This relevance of clusters for condensed matter is one of the major motivations for the study of atomic and molecular clusters. Another important use of clusters is as theoretical models of surfaces and bulk materials. The electronic wavefunctions for these cluster models have special advantages for understanding, in particular, the local properties of condensed matter, and represent a useful complement to delocalized band structure models. The cluster wavefunctions, obtained with molecular orbital theory, make it possible to relate chemical concepts developed to describe chemical bonds in molecules to very closely related chemical bonding at the surface and in the bulk of condensed matter.
This volume (NATO ASI SERIES B283) is a collection of the papers presented at a NATO Workshop held in Erice on April 1991: The papers deal with the following subjects:
I. Properties of gas_phase clusters; II. Organometallic, supported clusters and film growth; III. Cluster models for surface processes, in particular chemisorption and reactivity; IV. Cluster models for electronic phenomena in bulk ligands and solids.
Although the focus of the book is on the use and application of electronic structure theory, there are important experimental contributions.
While primarily intended for theoreticians concerned with the detailed understanding of surfaces, interfaces, and bulk materials, the book will be useful as a reference for those who need to address the problem of interpreting a large variety of experimental measures in solid state physics and chemistry (photoemission, vibrational spectroscopies, magnetic measurements, optical responses, etc.).
Reference books: B283, C121, C158, C184, C231, C300