NDLI: The two-dimensional pair correlation function for the Si(001) surface: computer simulation results

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The two-dimensional pair correlation function for the Si(001) surface: computer simulation results

Content Provider	Scilit
Author	Zhengming, Jia Genqing, Yang Zhaonian, Cheng Xianghuai, Liu Shichang, Zou
Copyright Year	1994
Description	Journal: Journal of Physics: Condensed Matter A two-dimensional pair correlation function (TPCF) has been introduced into the study of the surface structure of materials. A molecular dynamics simulation was then performed to obtain the TPCFs for the Si(001) surface and deeper layers. The atoms interact via a potential developed by Stillinger and Weber, which includes both two-body and three-body contributions. The analysis of TPCFS shows that the atoms in deeper layers of Si(001) do not derive from their original (001) atomic plane lattice sites, but just thermally vibrate in the vicinity of their equilibrium sites, and the nearer to the surface layer the atoms are, the more violent the vibration is. The analysis also indicates that a rearrangement of atoms has occurred in the Si(001) surface and, while the majority of these atoms form bonds, a minority still exists as non-bonding atoms.
Related Links	http://iopscience.iop.org/article/10.1088/0953-8984/6/6/012/pdf
Ending Page	1088
Page Count	6
Starting Page	1083
ISSN	09538984
e-ISSN	1361648X
DOI	10.1088/0953-8984/6/6/012
Journal	Journal of Physics: Condensed Matter
Issue Number	6
Volume Number	6
Language	English
Publisher	IOP Publishing
Publisher Date	1994-02-07
Access Restriction	Open
Subject Keyword	Journal: Journal of Physics: Condensed Matter Computer Simulation Two Dimensional Pair Molecular Dynamics Pair Correlation Function Surface Layer Dimensional Pair Correlation
Content Type	Text
Resource Type	Article
Subject	Condensed Matter Physics Materials Science

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