Structures of Steps and Appearances of {311} Facets on Si(100) Surfaces
- 2 January 1995
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 74 (1) , 130-133
- https://doi.org/10.1103/physrevlett.74.130
Abstract
First-principles total-energy calculations for structures and reactivities of single-, double-, and quadrilayer steps on Si(100) surfaces are presented. It is found that an activation energy for diffusion of an adatom on an upper terrace increases near a step edge and that rebonded and nonrebonded steps show bistability. A new reaction pathway in which the rebonded double-layer steps bunch and lead to a {311} facet is found to be energetically favorable.Keywords
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