Vibration spectra of single atomic nanocontacts

B. Bourahla, A. Khater, O. Rafil, R. Tigrine

Research output: Contribution to journalArticle

5 Citations (Scopus)

Abstract

This paper introduces a simple model for an atomic nanocontact, where its mechanical properties are analysed by calculating numerically the local spectral properties at the contact atom and the nearby atoms. The standard methodology for calculating phonon spectral densities is extended to enable the calculation of localized contact modes and local density of states (DOS). The model system considered for the nanocontact consists of two sets of triple parallel semi-infinite atomic chains joined by a single atom in between. The matching method is used, in the harmonic approximation, to calculate the local Green's functions for the irreducible set of sites that constitute the inhomogeneous nanocontact domain. The Green's functions yield the vibration spectra and the DOS for the atomic sites. These are numerically calculated for different cases of elastic hardening and softening of the nanocontact domain. The purpose is to investigate how the local dynamics respond to local changes in the elastic environment. The analysis of the spectra and of the DOS identifies characteristic features and demonstrates the central role of a core subset of these sites for the dynamics of the nanocontact. The system models a situation which may be appropriate for contact atomic force microscopy.

Original languageEnglish
Article number001
Pages (from-to)8683-8691
Number of pages9
JournalJournal of Physics Condensed Matter
Volume18
Issue number39
DOIs
Publication statusPublished - 4 Oct 2006
Externally publishedYes

Fingerprint

Phonons
Atomic Force Microscopy
Vibration
Spectrum Analysis
Green's function
Atoms
vibration
Green's functions
Spectral density
atoms
Hardening
Atomic force microscopy
hardening
softening
set theory
Mechanical properties
atomic force microscopy
mechanical properties
methodology
harmonics

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Electronic, Optical and Magnetic Materials

Cite this

Bourahla, B., Khater, A., Rafil, O., & Tigrine, R. (2006). Vibration spectra of single atomic nanocontacts. Journal of Physics Condensed Matter, 18(39), 8683-8691. [001]. https://doi.org/10.1088/0953-8984/18/39/001

Vibration spectra of single atomic nanocontacts. / Bourahla, B.; Khater, A.; Rafil, O.; Tigrine, R.

In: Journal of Physics Condensed Matter, Vol. 18, No. 39, 001, 04.10.2006, p. 8683-8691.

Research output: Contribution to journalArticle

Bourahla, B, Khater, A, Rafil, O & Tigrine, R 2006, 'Vibration spectra of single atomic nanocontacts', Journal of Physics Condensed Matter, vol. 18, no. 39, 001, pp. 8683-8691. https://doi.org/10.1088/0953-8984/18/39/001
Bourahla, B. ; Khater, A. ; Rafil, O. ; Tigrine, R. / Vibration spectra of single atomic nanocontacts. In: Journal of Physics Condensed Matter. 2006 ; Vol. 18, No. 39. pp. 8683-8691.
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