Green's function studies of phonon transport across Si/Ge superlattices

Understanding and manipulating coherent phonon transport in solids is of interest both for enhancing the fundamental understanding of thermal transport as well as for many practical applications, including thermoelectrics. In this study, we investigate phonon transmission across Si/Ge superlattices...

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Main Authors: Tian, Zhiting, Esfarjani, Keivan, Chen, Gang
Other Authors: Massachusetts Institute of Technology. Department of Mechanical Engineering
Format: Article
Language:English
Published: American Physical Society 2014
Online Access:http://hdl.handle.net/1721.1/88650
https://orcid.org/0000-0002-3968-8530
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author Tian, Zhiting
Esfarjani, Keivan
Chen, Gang
author2 Massachusetts Institute of Technology. Department of Mechanical Engineering
author_facet Massachusetts Institute of Technology. Department of Mechanical Engineering
Tian, Zhiting
Esfarjani, Keivan
Chen, Gang
author_sort Tian, Zhiting
collection MIT
description Understanding and manipulating coherent phonon transport in solids is of interest both for enhancing the fundamental understanding of thermal transport as well as for many practical applications, including thermoelectrics. In this study, we investigate phonon transmission across Si/Ge superlattices using the Green's function method with first-principles force constants derived from ab initio density functional theory. By keeping the period thickness fixed while changing the number of periods, we show that interface roughness partially destroys coherent phonon transport, especially at high temperatures. The competition between the low-frequency coherent modes and high-frequency incoherent modes leads to an optimum period length for minimum thermal conductivity. To destroy coherence of the low-frequency modes, scattering length scale on the order of period length is required. This finding is useful to guide the design of superlattices to reach even lower thermal conductivity.
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spelling mit-1721.1/886502022-09-28T19:09:49Z Green's function studies of phonon transport across Si/Ge superlattices Tian, Zhiting Esfarjani, Keivan Chen, Gang Massachusetts Institute of Technology. Department of Mechanical Engineering Tian, Zhiting Esfarjani, Keivan Chen, Gang Understanding and manipulating coherent phonon transport in solids is of interest both for enhancing the fundamental understanding of thermal transport as well as for many practical applications, including thermoelectrics. In this study, we investigate phonon transmission across Si/Ge superlattices using the Green's function method with first-principles force constants derived from ab initio density functional theory. By keeping the period thickness fixed while changing the number of periods, we show that interface roughness partially destroys coherent phonon transport, especially at high temperatures. The competition between the low-frequency coherent modes and high-frequency incoherent modes leads to an optimum period length for minimum thermal conductivity. To destroy coherence of the low-frequency modes, scattering length scale on the order of period length is required. This finding is useful to guide the design of superlattices to reach even lower thermal conductivity. United States. Dept. of Energy. Office of Basic Energy Sciences (Award DE-FG02-09ER46577) 2014-08-11T13:27:00Z 2014-08-11T13:27:00Z 2014-06 2014-05 2014-07-23T20:47:51Z Article http://purl.org/eprint/type/JournalArticle 1098-0121 1550-235X http://hdl.handle.net/1721.1/88650 Tian, Zhiting, Keivan Esfarjani, and Gang Chen. “Green’s Function Studies of Phonon Transport Across Si/Ge Superlattices.” Phys. Rev. B 89, no. 23 (June 2014). © 2014 American Physical Society https://orcid.org/0000-0002-3968-8530 en http://dx.doi.org/10.1103/PhysRevB.89.235307 Physical Review B Article is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use. American Physical Society application/pdf American Physical Society American Physical Society
spellingShingle Tian, Zhiting
Esfarjani, Keivan
Chen, Gang
Green's function studies of phonon transport across Si/Ge superlattices
title Green's function studies of phonon transport across Si/Ge superlattices
title_full Green's function studies of phonon transport across Si/Ge superlattices
title_fullStr Green's function studies of phonon transport across Si/Ge superlattices
title_full_unstemmed Green's function studies of phonon transport across Si/Ge superlattices
title_short Green's function studies of phonon transport across Si/Ge superlattices
title_sort green s function studies of phonon transport across si ge superlattices
url http://hdl.handle.net/1721.1/88650
https://orcid.org/0000-0002-3968-8530
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