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

2010/10/02 by Abhijeet Paul, Paul, Abhijeet, Mathieu Luisier +3
Engineering · Materials Science · Physics and Astronomy · #Advancements in Semiconductor Devices and Circuit Design #FOS: Physical sciences #Force Microscopy Techniques and Applications #Materials Science (cond-mat.mtrl-sci) #Mesoscale and Nanoscale Physics (cond-mat.mes-hall) #Thermal properties of materials #cond-mat.mes-hall #cond-mat.mtrl-sci

paper · pdf · doi:10.48550/arxiv.1010.0367

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

arxiv created 2010/10/02 · openalex publication_date 2010/10/02 · arxiv updated 2015/03/17 · openalex created_date 2022/10/05 · openalex updated_date 2026/07/28

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 (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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