Evaluating the relationship between phonon and thermal properties of group IV alloys using molecular dynamics simulation

M. Tomita, M. Ogasawara, T. Terada, T. Watanabe

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

Abstract

This study examines whether mass or potential disorder is more effective at reducing the thermal conductivity and phonon properties in group IV alloys using molecular dynamics (MD) simulation. In this investigation, virtual atoms were used so that the atomic mass and the interatomic potential could be varied independently. The effects of potential disorder on the thermal conductivity and phonon properties are smaller than those associated with mass disorder. The suppression of thermal conductivity by alloying is attributed only to the effects of mass disorder. In the phonon lifetime calculation, the lifetime of the phonon determined by the scattering due to potential disorder is ten times longer than that due to mass disorder. This difference is so large that the contribution of potential disorder to phonon lifetime is effectively negligible. Thus, a binary interatomic potential is unnecessary to accurately estimate the thermal conductivity of the group IV alloys.

Original languageEnglish
Title of host publicationECS Transactions
EditorsQizhi Liu, Jean-Michel Hartmann, Aaron Thean, Seiichi Miyazaki, Atsushi Ogura, Xiao Gong, Matty Caymax, Andreas Schulze, G. Mashi, Andreas Mai, Mikael Osting, G. Niu, David Harame
PublisherElectrochemical Society Inc.
Pages337-345
Number of pages9
Edition7
ISBN (Print)9781510871670
DOIs
Publication statusPublished - 2018
Event8th Symposium on SiGe, Ge, and Related Compounds: Materials, Processing, and Devices - AiMES 2018, ECS and SMEQ Joint International Meeting - Cancun, Mexico
Duration: 2018 Sep 302018 Oct 4

Publication series

NameECS Transactions
Number7
Volume86
ISSN (Print)1938-6737
ISSN (Electronic)1938-5862

Other

Other8th Symposium on SiGe, Ge, and Related Compounds: Materials, Processing, and Devices - AiMES 2018, ECS and SMEQ Joint International Meeting
CountryMexico
CityCancun
Period18/9/3018/10/4

ASJC Scopus subject areas

  • Engineering(all)

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