Solids and surfaces: a chemist's view of bonding in extended structures

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VCH Publishers, 1988 - Science - 142 pages
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The book begins with the language of crystal orbitals, band structures and densities of states. The tools for moving back from the highly delocalized orbitals of the solid are then built up in a transparent manner; they include decompositions of the densities of states and crystal orbital overlap populations. Using these tools, the book shapes a meeting ground between detailed quantum mechanical calculations and a chemical frontier orbital perspec- tive. Applications include a general picture of chemisorption, bond-breaking and making in the solid state, bonding in metals, the electronic structure of selected conducting and supercon- ducting structures, dissociation, migration and coupling on surfaces and the forces controlling deformation of extended systems.

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Contents

Bloch Functions k Band Structures
5
The Fermi Level
15
Setting Up a Surface Problem
21
Copyright

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About the author (1988)

Born in Zloczow, Poland, Roald Hoffmann escaped the annihilation of Polish Jews by the Germans during World War II and immigrated to the United States in 1949. He received a B.A. from Columbia University and a Ph.D. from Harvard University. While at Harvard, he and Robert Burns Woodward developed the Woodward-Hoffmann rules on the conservation of orbital symmetry during a chemical reaction by applying principles of quantum theory. These rules enabled scientists to predict an important class of organic reactions. Hoffmann went to work at Cornell University in 1965. In 1981 he shared the Nobel Prize for chemical reaction theory with Kenichi Fukui (who independently had developed an orbital theory in the 1950s).

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