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Modified valence force field approach for phonon dispersion: from zinc-blende bulk to nanowires

2010/09/30 by Abhijeet Paul, Paul, Abhijeet, Mathieu Luisier +3
Engineering · Materials Science · Physics and Astronomy · #Advanced Thermoelectric Materials and Devices #Advancements in Semiconductor Devices and Circuit Design #FOS: Physical sciences #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.1009.6188

13 pages, 13 figures, Preprint, accepted in Journal of Computational Electronics

openalex publication_date 2010/09/30 · arxiv created 2010/10/05 · arxiv updated 2015/03/17 · openalex created_date 2022/10/04 · openalex updated_date 2026/07/28

Abstract

he correct estimation of thermal properties of ultra-scaled CMOS and thermoelectric semiconductor devices demands for accurate phonon modeling in such structures. This work provides a detailed description of the modified valence force field (MVFF) method to obtain the phonon dispersion in zinc-blende semiconductors. The model is extended from bulk to nanowires after incorporating proper boundary conditions. The computational demands by the phonon calculation increase rapidly as the wire cross-section size increases. It is shown that the nanowire phonon spectrum differ considerably from the bulk dispersions. This manifests itself in the form of different physical and thermal properties in these wires. We believe that this model and approach will prove beneficial in the understanding of the lattice dynamics in the next generation ultra-scaled semiconductor devices.

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