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Presentation
Atomistic Modeling of the Phonon Dispersion and Lattice Properties of Free-Standing <100> Si Nanowires
Birck and NCN Publications
  • Abhijeet Paul, NCN, Purdue University
  • Mathieu Luisier, NCN, Purdue University
  • Gerhard Klimeck, NCN, Purdue University
Abstract

Phonon dispersions in ⟨100⟩ silicon nanowires (SiNW) are modeled using a Modified Valence Force Field (MVFF) method based on atomistic force constants. The model replicates the bulk Si phonon dispersion very well. In SiNWs, apart from four acoustic like branches, a lot of flat branches appear indicating strong phonon confinement in these nanowires and strongly affecting their lattice properties. The sound velocity (Vsnd) and the lattice thermal conductance (κl) decrease as the wire cross-section size is reduced whereas the specific heat (Cv) increases due to increased phonon confinement and surface-to-volume ratio (SVR).

Comments

Proceedings of the International Workshop for Computational Electronics, Pisa, Italy, October 2010

arXiv:1010.0367v1 [cond-mat.mes-hall] 2 Oct 2010

Keywords
  • atomistic modeling,
  • Si nanowires,
  • lattice properties,
  • phonon dispersion
Date of this Version
10-1-2010
Citation Information
Abhijeet Paul, Mathieu Luisier and Gerhard Klimeck. "Atomistic Modeling of the Phonon Dispersion and Lattice Properties of Free-Standing &lt;100&gt; Si Nanowires" (2010)
Available at: http://works.bepress.com/gerhard_klimeck/12/