Please use this identifier to cite or link to this item: https://doi.org/10.1088/0953-8984/1/25/005
Title: Surface reconstruction on Si(100) studied by the CNDO method
Authors: Ong, C.K. 
Chan, B.C. 
Issue Date: 1989
Source: Ong, C.K., Chan, B.C. (1989). Surface reconstruction on Si(100) studied by the CNDO method. Journal of Physics: Condensed Matter 1 (25) : 3931-3938. ScholarBank@NUS Repository. https://doi.org/10.1088/0953-8984/1/25/005
Abstract: The authors have examined seven reasonable asymmetrical dimer configurations for a Si(100) surface using the CNDO method. In this work, all structures resulting from higher-order dimer reconstruction are named according to Pauling and Herman's terminology. Reconstructed 4*1 and 4*2 surfaces are found to be energetically more favourable, followed by 2*2A and 2*1. The total energies per dimer of these four structures are reasonably close to each other and a disordered mixture of them might appear at the Si(100) surface. The results agree well with previous theoretical work as well as with experimental results. However, the 4*1 configuration cannot be confirmed as it has not been observed experimentally. The results on the amount of charge transfer to the dimer atoms and the dimer lengths for each configurations are also presented.
Source Title: Journal of Physics: Condensed Matter
URI: http://scholarbank.nus.edu.sg/handle/10635/98141
ISSN: 09538984
DOI: 10.1088/0953-8984/1/25/005
Appears in Collections:Staff Publications

Show full item record
Files in This Item:
There are no files associated with this item.

SCOPUSTM   
Citations

20
checked on Mar 29, 2018

Page view(s)

24
checked on Mar 9, 2018

Google ScholarTM

Check

Altmetric


Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.