Vibration dynamics of single atomic nanocontacts

A. Khater, B. Bourahla, R. Tigrine

Research output: Contribution to journalArticle

5 Citations (Scopus)

Abstract

The motivation for this work is to introduce a model for an atomic nanocontact, whereby its mechanical properties can be analysed via the local spectra. The model system consists of two sets of triple parallel semi-infinite atomic chains joined by a single atom in between. We calculate the vibration spectra and the local densities of vibration states, in the harmonic approximation, for the irreducible set of sites that constitute the nanocontact domain. The nanocontact observables are numerically calculated for different cases of elastic hardening and softening, to investigate how the local dynamics can respond to changes in the microscopic environment on the domain. We have also calculated the phonon scattering and coherent conductance at the nanocontact, derived in a Landauer-Büttiker matrix approach. The analysis of the spectra, of the densities of vibration states, and of the phonon conductance, identifies characteristic features and demonstrates the central role of a core subset of sites in the nanocontact domain.

Original languageEnglish
Article number012032
JournalJournal of Physics: Conference Series
Volume92
Issue number1
DOIs
Publication statusPublished - 1 Dec 2007
Externally publishedYes

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vibration
hardening
softening
set theory
mechanical properties
harmonics
matrices
approximation
scattering
atoms

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Vibration dynamics of single atomic nanocontacts. / Khater, A.; Bourahla, B.; Tigrine, R.

In: Journal of Physics: Conference Series, Vol. 92, No. 1, 012032, 01.12.2007.

Research output: Contribution to journalArticle

Khater, A. ; Bourahla, B. ; Tigrine, R. / Vibration dynamics of single atomic nanocontacts. In: Journal of Physics: Conference Series. 2007 ; Vol. 92, No. 1.
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