Observation of an unidentified phonon peak in SiGe alloys and superlattices using molecular dynamics simulation

S. Y.Y. Chung; M. Tomita; R. Yokogawa; A. Ogura; T. Watanabe

doi:10.1149/09805.0533ecst

Observation of an unidentified phonon peak in SiGe alloys and superlattices using molecular dynamics simulation

S. Y.Y. Chung, M. Tomita, R. Yokogawa, A. Ogura, T. Watanabe

School of Fundamental Science and Engineering

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

6 Citations (Scopus)

Abstract

Molecular dynamics was applied to a variety of SiGe alloys and superlattice structures in order to investigate the production of an unidentified phonon mode. The mode in question, observed in the resulting phonon dispersion relations, was produced around 2.5 - 5 THz. The corresponding spectral energy density data for the SiGe alloys produced varying intensities around this region, with a higher intensity tending towards lower thermal conductivity values. The unidentified mode was produced by the alloy and the non-periodic superlattice structures, whereas in the case of the periodic superlattices, the mode is less conspicuous. Regarding the SiGe compound, the mode was not produced. It is concluded that the atomic disorder within the alloys and non-periodic superlattices induce a stronger intensity of the unidentified mode.

Original language	English
Title of host publication	PRiME 2020
Subtitle of host publication	SiGe, Ge, and Related Compounds: Materials, Processing, and Devices 9
Editors	Q. Liu, J. M. Hartmann, J. R. Holt, X. Gong, V. Jain, G. Niu, G. Masini, A. Ogura, S. Miyazaki, M. Ostling, W. Bi, A. Schulze, A. Mai
Publisher	IOP Publishing Ltd.
Pages	533-546
Number of pages	14
Edition	5
ISBN (Electronic)	9781607689003
DOIs	https://doi.org/10.1149/09805.0533ecst
Publication status	Published - 2020
Event	Pacific Rim Meeting on Electrochemical and Solid State Science 2020, PRiME 200 - Honolulu, United States Duration: 2020 Oct 4 → 2020 Oct 9

Publication series

Name	ECS Transactions
Number	5
Volume	98
ISSN (Print)	1938-6737
ISSN (Electronic)	1938-5862

Conference

Conference	Pacific Rim Meeting on Electrochemical and Solid State Science 2020, PRiME 200
Country/Territory	United States
City	Honolulu
Period	20/10/4 → 20/10/9

ASJC Scopus subject areas

Engineering(all)

Access to Document

10.1149/09805.0533ecst

Cite this

Chung, S. Y. Y., Tomita, M., Yokogawa, R., Ogura, A., & Watanabe, T. (2020). Observation of an unidentified phonon peak in SiGe alloys and superlattices using molecular dynamics simulation. In Q. Liu, J. M. Hartmann, J. R. Holt, X. Gong, V. Jain, G. Niu, G. Masini, A. Ogura, S. Miyazaki, M. Ostling, W. Bi, A. Schulze, & A. Mai (Eds.), PRiME 2020: SiGe, Ge, and Related Compounds: Materials, Processing, and Devices 9 (5 ed., pp. 533-546). Article 533 (ECS Transactions; Vol. 98, No. 5). IOP Publishing Ltd.. https://doi.org/10.1149/09805.0533ecst

Observation of an unidentified phonon peak in SiGe alloys and superlattices using molecular dynamics simulation. / Chung, S. Y.Y.; Tomita, M.; Yokogawa, R. et al.
PRiME 2020: SiGe, Ge, and Related Compounds: Materials, Processing, and Devices 9. ed. / Q. Liu; J. M. Hartmann; J. R. Holt; X. Gong; V. Jain; G. Niu; G. Masini; A. Ogura; S. Miyazaki; M. Ostling; W. Bi; A. Schulze; A. Mai. 5. ed. IOP Publishing Ltd., 2020. p. 533-546 533 (ECS Transactions; Vol. 98, No. 5).

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

Chung, SYY, Tomita, M, Yokogawa, R, Ogura, A & Watanabe, T 2020, Observation of an unidentified phonon peak in SiGe alloys and superlattices using molecular dynamics simulation. in Q Liu, JM Hartmann, JR Holt, X Gong, V Jain, G Niu, G Masini, A Ogura, S Miyazaki, M Ostling, W Bi, A Schulze & A Mai (eds), PRiME 2020: SiGe, Ge, and Related Compounds: Materials, Processing, and Devices 9. 5 edn, 533, ECS Transactions, no. 5, vol. 98, IOP Publishing Ltd., pp. 533-546, Pacific Rim Meeting on Electrochemical and Solid State Science 2020, PRiME 200, Honolulu, United States, 20/10/4. https://doi.org/10.1149/09805.0533ecst

Chung SYY, Tomita M, Yokogawa R, Ogura A, Watanabe T. Observation of an unidentified phonon peak in SiGe alloys and superlattices using molecular dynamics simulation. In Liu Q, Hartmann JM, Holt JR, Gong X, Jain V, Niu G, Masini G, Ogura A, Miyazaki S, Ostling M, Bi W, Schulze A, Mai A, editors, PRiME 2020: SiGe, Ge, and Related Compounds: Materials, Processing, and Devices 9. 5 ed. IOP Publishing Ltd. 2020. p. 533-546. 533. (ECS Transactions; 5). doi: 10.1149/09805.0533ecst

Chung, S. Y.Y. ; Tomita, M. ; Yokogawa, R. et al. / Observation of an unidentified phonon peak in SiGe alloys and superlattices using molecular dynamics simulation. PRiME 2020: SiGe, Ge, and Related Compounds: Materials, Processing, and Devices 9. editor / Q. Liu ; J. M. Hartmann ; J. R. Holt ; X. Gong ; V. Jain ; G. Niu ; G. Masini ; A. Ogura ; S. Miyazaki ; M. Ostling ; W. Bi ; A. Schulze ; A. Mai. 5. ed. IOP Publishing Ltd., 2020. pp. 533-546 (ECS Transactions; 5).

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abstract = "Molecular dynamics was applied to a variety of SiGe alloys and superlattice structures in order to investigate the production of an unidentified phonon mode. The mode in question, observed in the resulting phonon dispersion relations, was produced around 2.5 - 5 THz. The corresponding spectral energy density data for the SiGe alloys produced varying intensities around this region, with a higher intensity tending towards lower thermal conductivity values. The unidentified mode was produced by the alloy and the non-periodic superlattice structures, whereas in the case of the periodic superlattices, the mode is less conspicuous. Regarding the SiGe compound, the mode was not produced. It is concluded that the atomic disorder within the alloys and non-periodic superlattices induce a stronger intensity of the unidentified mode.",

author = "Chung, {S. Y.Y.} and M. Tomita and R. Yokogawa and A. Ogura and T. Watanabe",

note = "Funding Information: This work was supported by the CREST projects JPMJCR19Q5 of Japan Science and Technology Corporation (JST). Publisher Copyright: {\textcopyright} The Electrochemical Society; Pacific Rim Meeting on Electrochemical and Solid State Science 2020, PRiME 200 ; Conference date: 04-10-2020 Through 09-10-2020",

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editor = "Q. Liu and Hartmann, {J. M.} and Holt, {J. R.} and X. Gong and V. Jain and G. Niu and G. Masini and A. Ogura and S. Miyazaki and M. Ostling and W. Bi and A. Schulze and A. Mai",

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AU - Chung, S. Y.Y.

AU - Tomita, M.

AU - Yokogawa, R.

AU - Ogura, A.

AU - Watanabe, T.

N1 - Funding Information: This work was supported by the CREST projects JPMJCR19Q5 of Japan Science and Technology Corporation (JST). Publisher Copyright: © The Electrochemical Society

PY - 2020

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N2 - Molecular dynamics was applied to a variety of SiGe alloys and superlattice structures in order to investigate the production of an unidentified phonon mode. The mode in question, observed in the resulting phonon dispersion relations, was produced around 2.5 - 5 THz. The corresponding spectral energy density data for the SiGe alloys produced varying intensities around this region, with a higher intensity tending towards lower thermal conductivity values. The unidentified mode was produced by the alloy and the non-periodic superlattice structures, whereas in the case of the periodic superlattices, the mode is less conspicuous. Regarding the SiGe compound, the mode was not produced. It is concluded that the atomic disorder within the alloys and non-periodic superlattices induce a stronger intensity of the unidentified mode.

AB - Molecular dynamics was applied to a variety of SiGe alloys and superlattice structures in order to investigate the production of an unidentified phonon mode. The mode in question, observed in the resulting phonon dispersion relations, was produced around 2.5 - 5 THz. The corresponding spectral energy density data for the SiGe alloys produced varying intensities around this region, with a higher intensity tending towards lower thermal conductivity values. The unidentified mode was produced by the alloy and the non-periodic superlattice structures, whereas in the case of the periodic superlattices, the mode is less conspicuous. Regarding the SiGe compound, the mode was not produced. It is concluded that the atomic disorder within the alloys and non-periodic superlattices induce a stronger intensity of the unidentified mode.

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Observation of an unidentified phonon peak in SiGe alloys and superlattices using molecular dynamics simulation

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