Article ID Journal Published Year Pages File Type
1596857 Solid State Communications 2006 4 Pages PDF
Abstract

Influence of sublayer atoms on Si(100) surface reconstruction has been examined with density functional theory and molecular dynamic simulation. We found that the displacements of sublayer atoms under the buckled dimer affect the motions of their neighboring atoms and thus play an important role in determining the surface reconstructions. The present results reveal the relationship between the surface dimer reconstruction and the motion of the sublayer atoms and provide an account for experimental observations of Si(100) surface reconstructions at very low temperatures.

Related Topics
Physical Sciences and Engineering Materials Science Materials Science (General)
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