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Quantum chemistry --- fysicochemie --- 530.145 --- #WSCH:MONO --- Chemistry, Quantum --- Chemistry, Physical and theoretical --- Quantum theory --- Excited state chemistry --- Quantum chemistry. --- Atoms --- Crystal field --- Diatomic molecules --- Valence bond theory --- Atoms. --- Crystal field. --- Diatomic molecules. --- Valence bond theory. --- 530.145 Quantum theory

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This concise volume examines the characteristic electronic parameters of semiconductor interfaces, namely the barrier heights of metal–semiconductor or Schottky contacts and the valence-band discontinuities of semiconductor–semiconductor interfaces or heterostructures. Both are determined by the same concept, namely the wave-function tails of electron states overlapping a semiconductor band gap directly at the interface. These interface-induced gap states (IFIGS) result from the complex band structure of the corresponding semiconductor. The IFIGS are characterized by two parameters, namely by their branch point, at which their charge character changes from predominantly valence-band- to conduction-band-like, and secondly by the proportionality factor or slope parameter of the corresponding electric-dipole term, which varies in proportion to the difference in the electronegativities of the two solids forming the interface. This IFIGS-and-electronegativity concept consistently and quantitatively explains the experimentally observed barrier heights of Schottky contacts as well as the valence-band offsets of heterostructures. Insulators are treated as wide band-gap semiconductors. In addition, this book: Explains the formation of interface-induced gap states and electric dipoles in Schottky contacts and heterostructures Includes experimental Schottky barrier heights, slope parameters, and valence-band offsets for a range of semiconductors Compares theoretical and experimental barrier heights of Schottky contacts and valence-band offsets of heterostructures.

Semiconductors. --- Condensed matter. --- Metals. --- Materials --- Valence (Theoretical chemistry). --- Condensed Matter Physics. --- Metals and Alloys. --- Materials Characterization Technique. --- Valence-Bond Theory. --- Analysis. --- Valence (Theoretical chemistry)

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This book presents the fundamentals of bonding in polyoxometalates and related oxides based on classical bonding concepts and the bond valence model. The in-depth treatment includes a revision of the procedure for the determination of the parameters of bond length-bond valence functions, the application of the bond valence model to polyoxometalates and related oxides, and the explanation of the distribution of the bond valences, and hence of the bond lengths, over the metal-oxygen bond and of the ionic charge on the oxygen atoms. Numerous tables and figures underline and illuminate the results. The principal author is a leader in the field of polyoxometalate chemistry. This work provides for the first time a comprehensive analysis of the structure and bonding in polyoxometalates, based on classical chemical concepts and the bond valence approach, and as such is a valuable resource for chemists, physicists and material scientists working in the field.

Chemical bonds --- Chemische bindingen --- Density [Electron ] --- Distribution [Electron ] --- Distribution d'électrons --- Electron density --- Electron distribution --- Electronen--Densiteit --- Liaisons chimiques --- Polyoxometalaten --- Polyoxometalates --- Polyoxométalates --- Chemistry. --- Inorganic chemistry. --- Physical chemistry. --- Chemistry, Physical and theoretical. --- Condensed matter. --- Inorganic Chemistry. --- Theoretical and Computational Chemistry. --- Physical Chemistry. --- Condensed Matter Physics. --- Condensed materials --- Condensed media --- Condensed phase --- Materials, Condensed --- Media, Condensed --- Phase, Condensed --- Liquids --- Matter --- Solids --- Chemistry, Theoretical --- Physical chemistry --- Theoretical chemistry --- Chemistry --- Inorganic chemistry --- Inorganic compounds --- Heteropoly acids --- Valence bond theory