Noncontact Atomic Force Microscopy Line-Profiling of Irregular Dimers on the Monohydride Si(001) Surface: Tight-Binding Simulation

This paper describes curious behaviors in noncontact atomic force microscopy (NC-AFM) line-profiles simulated by the density-functional based tight-binding (DFTB) method. Although NC-AFM observes the surface corrugations in general, these line-profiles show atom-like peaks at vacancy sites. This is...

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Bibliographic Details
Published in:E-journal of surface science and nanotechnology 2013/06/29, Vol.11, pp.80-84
Main Author: Masago, Akira
Format: Article
Language:English
Subjects:
Ab initio quantum chemical methods and calculations
Silicon
Surface defects
Surface relaxation and reconstruction
Surface structure and topography
Thermodynamics properties
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Summary:This paper describes curious behaviors in noncontact atomic force microscopy (NC-AFM) line-profiles simulated by the density-functional based tight-binding (DFTB) method. Although NC-AFM observes the surface corrugations in general, these line-profiles show atom-like peaks at vacancy sites. This is caused by a stronger interaction incident to the dangling bond. [DOI: 10.1380/ejssnt.2013.80]
ISSN:1348-0391
1348-0391
DOI:10.1380/ejssnt.2013.80