Please use this identifier to cite or link to this item: https://doi.org/10.1002/1521-3951(200102)223:33.0.CO;2-8
Title: Reconstruction of Si(001): A comparison study of many body potential calculations
Authors: Cai, J. 
Wang, J.-S. 
Issue Date: Feb-2001
Source: Cai, J.,Wang, J.-S. (2001-02). Reconstruction of Si(001): A comparison study of many body potential calculations. Physica Status Solidi (B) Basic Research 223 (3) : 773-778. ScholarBank@NUS Repository. https://doi.org/10.1002/1521-3951(200102)223:33.0.CO;2-8
Abstract: The Tersoff potential and a recently developed potential function for covalent materials (phys. stat. sol. (b) 212, 9 (1999)) are used to simulate the reconstruction of Si(001) surface. We obtain a dimered (2 × 1) reconstruction with an asymmetric rearrangement of atoms in deeper layers in Z-direction using Tersoff's potential and an asymmetric buckled dimered (2 × 1) reconstruction using the recently developed potential. The latter is in agreement with results from the first principles calculations or experiments.
Source Title: Physica Status Solidi (B) Basic Research
URI: http://scholarbank.nus.edu.sg/handle/10635/114382
ISSN: 03701972
DOI: 10.1002/1521-3951(200102)223:33.0.CO;2-8
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