DocumentCode
2560737
Title
Ab Initio Calculations of the Si(001) Surface Reconstructions using Density Functional Theory
Author
Zinchenko, Constantin Yu ; Shwartz, Nataly L. ; Yanovitskaja, Zoya Sh ; Morokov, Yuri N.
Author_Institution
Novosibirsk State Tech. Univ.
fYear
2006
fDate
1-5 July 2006
Firstpage
55
Lastpage
57
Abstract
Calculations of the Si(001) surface reconstructions were carried out using the model based on the density functional theory. Comparison of energy characteristic of surfaces with various reconstructions was done. The reconstruction c(4times2) was demonstrated to be the most energy favorable. Parameters of buckling dimers, that are the elements of this reconstruction, were determined
Keywords
ab initio calculations; density functional theory; elemental semiconductors; silicon; surface reconstruction; ab initio calculations; buckling dimers; density functional theory; energy characteristic; silicon surface reconstructions; Atomic layer deposition; Density functional theory; Helium; Image reconstruction; Lattices; Physics; Slabs; Solids; Surface reconstruction; Temperature; DFT; Modeling; Si(001); reconstruction;
fLanguage
English
Publisher
ieee
Conference_Titel
Electron Devices and Materials, 2006. Proceedings. 7th Annual 2006 International Workshop and Tutorials on
Conference_Location
Erlagol, Altai
ISSN
1815-3712
Print_ISBN
5-7782-0646-1
Type
conf
DOI
10.1109/SIBEDM.2006.230306
Filename
1694072
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