Please use this identifier to cite or link to this item: http://scholarbank.nus.edu.sg/handle/10635/97775
Title: Reconstruction of the Si(113) surface
Authors: Feng, Y.P. 
Wee, T.H.
Ong, C.K. 
Poon, H.C. 
Issue Date: 15-Aug-1996
Source: Feng, Y.P.,Wee, T.H.,Ong, C.K.,Poon, H.C. (1996-08-15). Reconstruction of the Si(113) surface. Physical Review B - Condensed Matter and Materials Physics 54 (7) : 4766-4773. ScholarBank@NUS Repository.
Abstract: The tight-binding molecular dynamics method is used to study reconstructions of the Si(113) surface. Comparisons of tight-binding total energies of the 3×1 and 3×2 reconstructed surfaces as well as the bulk terminated and the fully relaxed 1×1 surfaces show that the 3×2 reconstructed surface is the most stable structure at low temperature. However, the 3×1 reconstructed surface should dominate at higher temperature. A transition from the 3×2 phase to the 3×1 phase is predicted to occur at about 750 K, which is in agreement with experimental observations.
Source Title: Physical Review B - Condensed Matter and Materials Physics
URI: http://scholarbank.nus.edu.sg/handle/10635/97775
ISSN: 01631829
Appears in Collections:Staff Publications

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