ATOMIC-STRUCTURE OF THE NA SI(100)-(2X1) SURFACE
SCIE
- Title
- ATOMIC-STRUCTURE OF THE NA SI(100)-(2X1) SURFACE
- Authors
- CHO; JH; KANG; MH
- Date Issued
- 1994-02
- Publisher
- KOREAN PHYSICAL SOC
- Abstract
- The adsorption geometry of Na in a half-monolayer coverage on the symmetric-dimer Si(100)-(2 X 1) surface is studied by carrying out pseudopotential density-functional total-energy calculations. We find that the valley-bridge site is the most stable adsorption site and that the corresponding equilibrium Na-Si bond length is 2.94 angstrom. The partial-core correction to the Na pseudopotentials increases the Na-Si bond length by about 0.2 angstrom, but doesn't change the site preference. The present calculations are in good agreement with the pseudopotential result of Zhang et al.[3] which was in conflict with the earlier pseudopotential result of Batra.[2]
- URI
- https://oasis.postech.ac.kr/handle/2014.oak/21993
- ISSN
- 0374-4884
- Article Type
- Article
- Citation
- JOURNAL OF THE KOREAN PHYSICAL SOCIETY, vol. 27, no. 1, page. 31 - 34, 1994-02
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- There are no files associated with this item.
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