DYNAMICS OF CHEMISORPTION AND INDIFFUSION AT SEMICONDUCTOR SURFACES
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abstract
A new technique, employing Green's function methods and the Hellmann-Feynman theorem, makes it possible to perform realistic simulations of atomic motion in covalently-bonded systems. For atoms of various chemical species incident on the (110) surfaces of GaAs and InP, many interesting phenomena have been observed. These include (1) up to 6 distinct initial chemisorption sites for a single species, (2) indiffusion of small atoms (B, C, and N) via process that involves correlated motion of the substrate atoms, and (3) highly anharmonic vibrations for some bonding sites. 1988.