Journal
APPLIED SURFACE SCIENCE
Volume 252, Issue 15, Pages 5284-5287Publisher
ELSEVIER
DOI: 10.1016/j.apsusc.2005.12.108
Keywords
atomic structure; electronic structure; Si(001); scanning tunneling microscopy; density functional theory
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The atomic and electronic structures of the Si(001)-c(4 x 4) surface have been studied by scanning tunneling microscopy (STM) and density functional theory (DFT). To explain the experimental bias dependent STM observations, a modified mixed ad-dimer reconstruction model is introduced. The model involves three tilted Si dimers and a carbon atom incorporated into the third subsurface layer per c(4 x 4) unit cell. The calculated STM images show a close resemblance to the experimental ones. (c) 2005 Elsevier B.V. All rights reserved.
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