Atomistic modeling of the phonon dispersion and lattice properties of free-standing <100> Si nanowires

Details Atomistic modeling of the phonon dispersion and lattice properties of free-standing <100> Si nanowires Atomistic modeling of the phonon dispersion and lattice properties of free-standing <100> Si nanowires

2010-10-02

arxiv.org/abs/1010.0367v1

Physics

Condensed Matter

Mesoscale and Nanoscale Physics

4 Pages, 8 figures, Accepted for pulication in 14th IWCE, 2010

Scientific paper

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 (kl) 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).

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