Electronic Resource
New York, NY
:
Wiley-Blackwell
International Journal of Quantum Chemistry
61 (1997), S. 719-724
ISSN:
0020-7608
Keywords:
Chemistry
;
Theoretical, Physical and Computational Chemistry
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
Diffusion of a Si adatom over the reconstructed Si(100) surface with a single-height step on it is studied using the pseudopotential total energy method. The SB rebonded step is shown to act as a good sink for adatoms descending onto the lower ledge. This is due to the presence of deep traps on the lower terrace and to the negative Ehrlich-Schwoebel barrier (the activation barrier for descent from the edge is 0.23 eV lower than for the motion on a flat surface). The diffusion characteristics of the adatom on both terraces are virtually unaffected by the presence of the step. However, the dimer buckling sequence on a lower terrace is strongly dependent on the position of the adatom along the diffusion path. © 1997 John Wiley & Sons, Inc.
Additional Material:
4 Ill.
Type of Medium:
Electronic Resource
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