Orientation of the vacancy line defects on Si(100)
碩士 === 國立中山大學 === 物理研究所 === 84 === Using the local-orbital density-functional molecular-dynamics method, we have obtained relaxed Si(100) surfaces with vacancy line defects that are perpendicular and parallel to the surface dimer rows and t...
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| Format: | Others |
| Language: | en_US |
| Published: |
1996
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| Online Access: | http://ndltd.ncl.edu.tw/handle/66729282645104305987 |
| Summary: | 碩士 === 國立中山大學 === 物理研究所 === 84 === Using the local-orbital density-functional molecular-dynamics
method, we have obtained relaxed Si(100) surfaces with vacancy
line defects that are perpendicular and parallel to the surface
dimer rows and their corresponding total energies. Our results
show that the perpendicular line defects with two-dimer wide
are most favorable with respect to the parallel line defects in
agreement with scanning tunneling microscopy (STM)
observations. This preference can be attributed mainly to the
formation of troughs around the defect in the perpendicular
case and the limited space that prevents the exposed second-
layer atoms to form long dimer rows in the parallel case.
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