Phonon dispersion in <100> Si nanowire covered with SiO2 Film calculated by molecular dynamics simulation

T. Watanabe, T. Zushi, M. Tomita, R. Kuriyama, N. Aoki, T. Kamioka

Research output: Chapter in Book/Report/Conference proceedingConference contribution

4 Citations (Scopus)

Abstract

The phonon dispersion relation in <100> Si nanowire (SiNW) is calculated by employing a realistic atomistic model surrounded by thin SiO 2 layers. We performed molecular dynamics simulation to calculate the dynamical structure factor by the space-time Fourier transform of atomic trajectories, and extracted the phonon dispersion relations. Although the bulk dispersion relations are maintained in the SiNWs on the whole, acoustic phonon branches are diffused beyond recognition, which is considered as the origin of the thermal conductivity degradation in SiNWs. A red shift of the transverse optical mode also appears probably due to the lattice strain induced by the outer oxide film. These results provide a foothold to estimate the electron-phonon scattering rates and the heat transport processes in realistic SiNWs.

Original languageEnglish
Title of host publicationSiGe, Ge, and Related Compounds 5
Subtitle of host publicationMaterials, Processing, and Devices
Pages673-680
Number of pages8
Edition9
DOIs
Publication statusPublished - 2012 Dec 1
Event5th SiGe, Ge, and Related Compounds: Materials, Processing and Devices Symposium - 220th ECS Meeting - Honolulu, HI, United States
Duration: 2012 Oct 72012 Oct 12

Publication series

NameECS Transactions
Number9
Volume50
ISSN (Print)1938-5862
ISSN (Electronic)1938-6737

Conference

Conference5th SiGe, Ge, and Related Compounds: Materials, Processing and Devices Symposium - 220th ECS Meeting
CountryUnited States
CityHonolulu, HI
Period12/10/712/10/12

ASJC Scopus subject areas

  • Engineering(all)

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    Watanabe, T., Zushi, T., Tomita, M., Kuriyama, R., Aoki, N., & Kamioka, T. (2012). Phonon dispersion in <100> Si nanowire covered with SiO2 Film calculated by molecular dynamics simulation. In SiGe, Ge, and Related Compounds 5: Materials, Processing, and Devices (9 ed., pp. 673-680). (ECS Transactions; Vol. 50, No. 9). https://doi.org/10.1149/05009.0673ecst