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

doi:10.1149/05009.0673ecst

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

School of Fundamental Science and Engineering

Research output: Chapter in Book/Report/Conference proceeding › Conference 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 language	English
Title of host publication	SiGe, Ge, and Related Compounds 5
Subtitle of host publication	Materials, Processing, and Devices
Publisher	Electrochemical Society Inc.
Pages	673-680
Number of pages	8
Edition	9
ISBN (Print)	9781607683575
DOIs	https://doi.org/10.1149/05009.0673ecst
Publication status	Published - 2013
Event	5th SiGe, Ge, and Related Compounds: Materials, Processing and Devices Symposium - 220th ECS Meeting - Honolulu, HI, United States Duration: 2012 Oct 7 → 2012 Oct 12

Publication series

Name	ECS Transactions
Number	9
Volume	50
ISSN (Print)	1938-5862
ISSN (Electronic)	1938-6737

Conference

Conference	5th SiGe, Ge, and Related Compounds: Materials, Processing and Devices Symposium - 220th ECS Meeting
Country/Territory	United States
City	Honolulu, HI
Period	12/10/7 → 12/10/12

ASJC Scopus subject areas

Engineering(all)

Access to Document

10.1149/05009.0673ecst

Cite this

Watanabe, T., Zushi, T., Tomita, M., Kuriyama, R., Aoki, N., & Kamioka, T. (2013). 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). Electrochemical Society Inc.. https://doi.org/10.1149/05009.0673ecst

Phonon dispersion in <100> Si nanowire covered with SiO₂ Film calculated by molecular dynamics simulation. / Watanabe, T.; Zushi, T.; Tomita, M. et al.

SiGe, Ge, and Related Compounds 5: Materials, Processing, and Devices. 9. ed. Electrochemical Society Inc., 2013. p. 673-680 (ECS Transactions; Vol. 50, No. 9).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

Watanabe, T, Zushi, T, Tomita, M, Kuriyama, R, Aoki, N & Kamioka, T 2013, 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 edn, ECS Transactions, no. 9, vol. 50, Electrochemical Society Inc., pp. 673-680, 5th SiGe, Ge, and Related Compounds: Materials, Processing and Devices Symposium - 220th ECS Meeting, Honolulu, HI, United States, 12/10/7. https://doi.org/10.1149/05009.0673ecst

@inproceedings{7e182781aec24a3f9a7844da14e3530c,

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

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.",

author = "T. Watanabe and T. Zushi and M. Tomita and R. Kuriyama and N. Aoki and T. Kamioka",

note = "Funding Information: The authors thank the financial support of the Spanish Ministry of Economy and Competitiveness (MINECO) and FEDER (DADDi2 project TEC2013-48506-C3 ), and the CNRS/CSIC agreement program (2012). R. W. Verjulio thanks MINECO for the fellowship. The authors would also like to acknowledge Tokuyama Corporation for supplying membrane materials.; 5th SiGe, Ge, and Related Compounds: Materials, Processing and Devices Symposium - 220th ECS Meeting ; Conference date: 07-10-2012 Through 12-10-2012",

year = "2013",

doi = "10.1149/05009.0673ecst",

language = "English",

isbn = "9781607683575",

series = "ECS Transactions",

publisher = "Electrochemical Society Inc.",

number = "9",

pages = "673--680",

booktitle = "SiGe, Ge, and Related Compounds 5",

edition = "9",

}

TY - GEN

T1 - Phonon dispersion in <100> Si nanowire covered with SiO2 Film calculated by molecular dynamics simulation

AU - Watanabe, T.

AU - Zushi, T.

AU - Tomita, M.

AU - Kuriyama, R.

AU - Aoki, N.

AU - Kamioka, T.

N1 - Funding Information: The authors thank the financial support of the Spanish Ministry of Economy and Competitiveness (MINECO) and FEDER (DADDi2 project TEC2013-48506-C3 ), and the CNRS/CSIC agreement program (2012). R. W. Verjulio thanks MINECO for the fellowship. The authors would also like to acknowledge Tokuyama Corporation for supplying membrane materials.

PY - 2013

Y1 - 2013

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=84885822782&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84885822782&partnerID=8YFLogxK

U2 - 10.1149/05009.0673ecst

DO - 10.1149/05009.0673ecst

M3 - Conference contribution

AN - SCOPUS:84885822782

SN - 9781607683575

T3 - ECS Transactions

SP - 673

EP - 680

BT - SiGe, Ge, and Related Compounds 5

PB - Electrochemical Society Inc.

T2 - 5th SiGe, Ge, and Related Compounds: Materials, Processing and Devices Symposium - 220th ECS Meeting

Y2 - 7 October 2012 through 12 October 2012

ER -