A study of the turning points of a nems shuttle using td-scc-dftb

Nanoelectromechanical systems, of which the shuttle is one of the most fundamental, have theoretically been described mainly with phenomenological models with simplified interactions between the mobile part and the electrodes. Many microscopic methods, which in principle can give a more realistic pi...

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Bibliographic Details
Published in:AIP conference proceedings 2009-01, Vol.1091 (1)
Main Authors: Huldt, C., Kinaret, J., Koskinen, P.
Format: Article
Language:English
Subjects:
39
APPROXIMATIONS
CHARGE EXCHANGE
EFFICIENCY
ELECTRODES
ELECTROMECHANICS
EQUILIBRIUM
INTERACTIONS
NANOSTRUCTURES
RELAXATION
RELIABILITY
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Summary:Nanoelectromechanical systems, of which the shuttle is one of the most fundamental, have theoretically been described mainly with phenomenological models with simplified interactions between the mobile part and the electrodes. Many microscopic methods, which in principle can give a more realistic picture of the shuttling process, are poorly suited for the dynamic non-equilibrium problem at hand. This is primarily due to the presence of several timescales associated with the mechanical motion, electronic relaxation within subsystems, and charge transfer between the mobile shuttle and the electrodes. The last timescale varies by many orders of magnitude during a shuttling cycle, which complicates many of the standard approaches. To overcome these difficulties, we use a TD-SCC-DFTB code developed in the Fraunhofer Institute for Mechanics of Materials (IWM) in Freiburg. The method, which is a well-tested approximation to TDDFT, couples the reliability of DFT with the efficiency of the TB approach.
ISSN:0094-243X
1551-7616
DOI:10.1063/1.3082313