Solid-state shifts of core-electron binding energies in tetrahedral semiconductors from tight-binding theory
Rolf Enderlein, Walter A. Harrison
Abstract
Rolf Enderlein, Walter A. Harrison
Abstract
Solid-state shifts of core-electron binding energies are claculated for tetrahedral semiconductors with the valence-band maximum as reference level. A Born-Haber cycle is used to relate binding-energy shifts to changes of bond energies due to the excitation of core electrons. These energies are obtained from tight-binding theory with universal parameters. Metallization was included as a correction to the bond-orbital approximation. Shifts calculated entirely in terms of tight-binding parameters are compared with experimental data for the least-bound core electrons. Overall agreement is within 1 to 2 eV in most cases.
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Solid-state shifts of core-electron binding energies are claculated for tetrahedral semiconductors with the valence-band maximum as reference level. A Born-Haber cycle is used to relate binding-energy shifts to changes of bond energies due to the excitation of core electrons. These energies are obtained from tight-binding theory with universal parameters. Metallization was included as a correction to the bond-orbital approximation. Shifts calculated entirely in terms of tight-binding parameters are compared with experimental data for the least-bound core electrons. Overall agreement is within 1 to 2 eV in most cases.
Key concepts: Binding energy, Core electron, Tight binding, Electron, Atomic physics, Valence electron, Core charge, Semiconductor