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

作者：Paul Abhijeet^*; Luisier Mathieu; Klimeck Gerhard

来源：14th International Workshop on Computational Electronics (IWCE), 2010-10-26 to 2010-10-29.

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 (V-snd) and the lattice thermal conductance (kappa(l)) decrease as the wire cross-section size is reduced whereas the specific heat (C-v) increases due to increased phonon confinement and surface-to-volume ratio (SVR).

• 出版日期2010