Dimer-plus-chain structure for the SI(100)-c(4×2) surface
- 25 February 1985
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 54 (8) , 815-818
- https://doi.org/10.1103/physrevlett.54.815
Abstract
A new c(4×2) structure for the Si(100) surface is proposed in which the second-layer atoms are dimerized and the top-layer atoms form π-bonded chains. Pseudopotential total-energy calculations indicate that this c(4×2) dime-plus-chain structure has a lower energy’than the (2×1) dimerized surface. The bond topology of the structure explains the streaking and weakness of the (1/4)-order diffraction spots observed in low-energy electron and He-atom diffraction.Keywords
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