Ab initio study of epitaxial growth on a Si(100) surface in the presence of steps
- BIOSYM/MSI, Cambridge (United Kingdom)
- Oak Ridge National Lab., TN (United States). Solid State Div.
The motion of a Si adatom over the reconstructed Si(100) surface with single-height rebonded (S{sub B}) step is studied using the pseudopotential total energy method. The 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 at the rebonded dimer row 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. The dimer buckling sequence on a lower terrace depends strongly on the position of the adatom along the diffusion path.
- Sponsoring Organization:
- USDOE, Washington, DC (United States)
- DOE Contract Number:
- AC05-84OR21400
- OSTI ID:
- 488996
- Report Number(s):
- CONF-951155-; ISBN 1-55899-311-8; TRN: IM9728%%187
- Resource Relation:
- Conference: Fall meeting of the Materials Research Society (MRS), Boston, MA (United States), 27 Nov - 1 Dec 1995; Other Information: PBD: 1996; Related Information: Is Part Of Materials theory, simulations, and parallel algorithms; Kaxiras, E. [ed.] [Harvard Univ., Cambridge, MA (United States)]; Joannopoulos, J. [ed.] [Massachusetts Inst. of Tech., Cambridge, MA (United States)]; Vashishta, P.; Kalia, R.K. [eds.] [Louisiana State Univ., Baton Rouge, LA (United States)]; PB: 627 p.; Materials Research Society symposium proceedings, Volume 408
- Country of Publication:
- United States
- Language:
- English
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