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On the Theory of Surface States in Three‐Dimensional Crystals
Author(s) -
Scherer M.,
Phariseau P.
Publication year - 1969
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.19690320208
Subject(s) - surface (topology) , lattice (music) , crystal (programming language) , slab , wave function , generalization , atom (system on chip) , electron , condensed matter physics , physics , mathematics , quantum mechanics , geometry , mathematical analysis , computer science , acoustics , embedded system , programming language , geophysics
The existence of surface energy states of electrons in solids has been proved by Heine by matching the wave functions at the boundary plane. Starting from this general theory, we calculate the surface energy bands in three‐dimensional crystals with one atom per unit cell. Not only a semi‐infinite lattice but also a three‐dimensional crystal slab is considered. The method developed in this paper is a generalization of the Green's function method of Kohn and Rostoker for calculating the energy bands in infinitely extended crystals.