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Paper Abstract and Keywords
Presentation 2017-02-24 16:45
Reproduce and Prediction of Phonon in Group IV Binary Alloy Semiconductors by Lattice Dynamics Simulation
Motohiro Tomita (Waseda Univ./Meiji Univ./JSPS), Atsushi Ogura (Meiji Univ.), Takanobu Watanabe (Waseda Univ.) ED2016-141 SDM2016-158
Abstract (in Japanese) (See Japanese page) 
(in English) We have developed the interatomic potential of SiGe, GeSn, and SiSn binary mixed systems to reproduce the lattice constant, phonon frequency, and phonon dispersion relations in the bulk pure group IV crystal and group IV binary alloys by molecular dynamics (MD) simulation. The phonon dispersion relation is derived from the dynamical structure factor which is calculated by the space-time Fourier transform of atomic trajectories in MD simulation. The designed potential parameter set almost reproduces the experimental data of lattice constant and phonon frequency in Si, Ge, Sn, SiGe, GeSn, and SiSn. The Sn concentration dependence of the Ge-Sn, Si-Sn, and Sn-Sn mode phonon frequency, which are not yet clarified, is calculated with newly developed potential in GeSn and SiSn alloy. Furthermore, the TA phonon branches in the phonon dispersion relations were drastically broadened or split. The broadening or split of the acoustic phonon is related to the thermal characteristic. Thus, the phonon broadening or split can be controlled by difference of atomic potential or weight, the thermal characteristic also can be controlled. This work enables us to predict the elastic and phonon related properties of bulk group IV alloys.
Keyword (in Japanese) (See Japanese page) 
(in English) Group IV alloy / Phonon / Molecular dynamics method / / / / /  
Reference Info. IEICE Tech. Rep., vol. 116, no. 472, SDM2016-158, pp. 61-66, Feb. 2017.
Paper # SDM2016-158 
Date of Issue 2017-02-17 (ED, SDM) 
ISSN Print edition: ISSN 0913-5685    Online edition: ISSN 2432-6380
Copyright
and
reproduction		 All rights are reserved and no part of this publication may be reproduced or transmitted in any form or by any means, electronic or mechanical, including photocopy, recording, or any information storage and retrieval system, without permission in writing from the publisher. Notwithstanding, instructors are permitted to photocopy isolated articles for noncommercial classroom use without fee. (License No.: 10GA0019/12GB0052/13GB0056/17GB0034/18GB0034)
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Conference Information
Committee ED SDM  
Conference Date 2017-02-24 - 2017-02-24 
Place (in Japanese) (See Japanese page) 
Place (in English) Centennial Hall, Hokkaido Univ. 
Topics (in Japanese) (See Japanese page) 
Topics (in English) Functional nanodevices and related technologies 
Paper Information
Registration To SDM 
Conference Code 2017-02-ED-SDM 
Language Japanese 
Title (in Japanese) (See Japanese page) 
Sub Title (in Japanese) (See Japanese page) 
Title (in English) Reproduce and Prediction of Phonon in Group IV Binary Alloy Semiconductors by Lattice Dynamics Simulation 
Sub Title (in English)  
Keyword(1) Group IV alloy  
Keyword(2) Phonon  
Keyword(3) Molecular dynamics method  
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1st Author's Name Motohiro Tomita  
1st Author's Affiliation Waseda University/Meiji University/Japan Society for the Promotion of Science (Waseda Univ./Meiji Univ./JSPS)
2nd Author's Name Atsushi Ogura  
2nd Author's Affiliation Meiji University (Meiji Univ.)
3rd Author's Name Takanobu Watanabe  
3rd Author's Affiliation Waseda University (Waseda Univ.)
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Speaker Author-1 
Date Time 2017-02-24 16:45:00 
Presentation Time 25 minutes 
Registration for SDM 
Paper # ED2016-141, SDM2016-158 
Volume (vol) vol.116 
Number (no) no.471(ED), no.472(SDM) 
Page pp.61-66 
#Pages 6 
Date of Issue 2017-02-17 (ED, SDM) 

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