SOME ASPECTS OF TIGHT-BINDING APPROACH IN CHEMISORPTION THEORY
Author(s): Yu.Rudavskii, G.Ponedilok, Yu.Petriv (Lviv Polytechnic State University 12 S.Bandera Str., 79013 Lviv, Ukraine)
The quantum-statistic problem of atoms chemisorption with hydrogen-like electronic structure on semiconductor and dielectric crystalline surfaces is considered. The superficial states are described in tight-binding approximation. The self-consistent system of equations for calculating the charge and spin-polarized states of the adsorbed atom in Hartree-Fock approximation is derived.
Key words: adatom, chemisorption, surface, chemisorption energy
PACS: 73.20.H, 82.65.Y
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