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Phonon dispersions in <100> silicon nanowires (SiNW) are modeled using aModified Valence Force Field (MVFF) method based on atomistic force constants.The model replicates the bulk Si phonon dispersion very well. In SiNWs, apartfrom four acoustic like branches, a lot of flat branches appear indicatingstrong phonon confinement in these nanowires and strongly affecting theirlattice properties. The sound velocity (Vsnd) and the lattice thermalconductance (kl) decrease as the wire cross-section size is reduced whereas thespecific heat (Cv) increases due to increased phonon confinement andsurface-to-volume ratio (SVR).

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