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Potential Surfaces for Chemisorption on Semiconductor Surfaces from Pair Potential Considerations
Author(s) -
Engler C.
Publication year - 1989
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.2221510215
Subject(s) - chemisorption , semiconductor , ab initio , hydrogen , materials science , surface (topology) , oxygen , chemical physics , atomic physics , chemistry , molecular physics , physics , optoelectronics , geometry , adsorption , mathematics , organic chemistry
A pair potential method, recently proposed by Tersoff, is extended in order to treat chemisorption problems on semiconductor surfaces. The modified version is tested for chemisorption of atomic hydrogen and oxygen on Si(100)‐surface. The calculated data are compared with experiments and ab‐initio results.