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Green's function scattering‐theoretic methods for point defects, surfaces, and interfaces in solids
Author(s) -
Pantelides S. T.,
Bernholc J.,
Pollmann J.,
Lipari N. O.
Publication year - 2009
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560140845
Subject(s) - point (geometry) , function (biology) , scattering , materials science , statistical physics , physics , optics , mathematics , geometry , biology , evolutionary biology
We have recently developed novel ways to describe the electronic structure of point defects, surfaces, and interfaces in semiconductors, making use of the original Koster‐Slater ideas for localized perturbations in otherwise periodic solids. In this article we give a brief review of the method and our applications to the vacancy, free surfaces, and interfaces of several tetrahedral semiconductors and SiO 2 , using both empirical tight‐binding and self‐consistent Hamiltonians.