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Article: Anharmonic lattice dynamics of Te and its counter-intuitive strain dependent lattice thermal conductivity

TitleAnharmonic lattice dynamics of Te and its counter-intuitive strain dependent lattice thermal conductivity
Authors
KeywordsCrystal atomic structure
Lattice constants
Lattice theory
Lattice vibrations
Perturbation techniques
Issue Date2019
PublisherRSC Publications. The Journal's web site is located at http://pubs.rsc.org/en/journals/journalissues/tc#!recentarticles&all
Citation
Journal of Materials Chemistry C, 2019, v. 7 n. 20, p. 5970-5974 How to Cite?
AbstractThe anharmonic lattice dynamics of Te is studied based on perturbation theory using the third-order anharmonic force constants. The low lattice thermal conductivity of Te at high temperature is related to its low acoustic phonon lifetimes. In contrast to the expectation that the lattice thermal conductivity increases under compression, we find that it shows a counter-intuitive strain dependence in Te. The lattice thermal conductivity along the Te atomic chain is shown to decrease unexpectedly when a uniaxial compressive strain is applied in this direction. The lattice thermal conductivity along directions perpendicular to the Te atomic chain also shows an abnormal strain dependence. The lattice thermal conductivity under strain is analyzed based on the phonon lifetime and group velocity. Moreover, the variation of bond lengths under uniaxial strains is also discussed to provide further insight into the thermal transport behavior.
Persistent Identifierhttp://hdl.handle.net/10722/272243
ISSN
2023 Impact Factor: 5.7
2023 SCImago Journal Rankings: 1.358
ISI Accession Number ID
Grants

 

DC FieldValueLanguage
dc.contributor.authorLI, S-
dc.contributor.authorMa, J-
dc.contributor.authorPei, Y-
dc.contributor.authorChen, Y-
dc.date.accessioned2019-07-20T10:38:28Z-
dc.date.available2019-07-20T10:38:28Z-
dc.date.issued2019-
dc.identifier.citationJournal of Materials Chemistry C, 2019, v. 7 n. 20, p. 5970-5974-
dc.identifier.issn2050-7526-
dc.identifier.urihttp://hdl.handle.net/10722/272243-
dc.description.abstractThe anharmonic lattice dynamics of Te is studied based on perturbation theory using the third-order anharmonic force constants. The low lattice thermal conductivity of Te at high temperature is related to its low acoustic phonon lifetimes. In contrast to the expectation that the lattice thermal conductivity increases under compression, we find that it shows a counter-intuitive strain dependence in Te. The lattice thermal conductivity along the Te atomic chain is shown to decrease unexpectedly when a uniaxial compressive strain is applied in this direction. The lattice thermal conductivity along directions perpendicular to the Te atomic chain also shows an abnormal strain dependence. The lattice thermal conductivity under strain is analyzed based on the phonon lifetime and group velocity. Moreover, the variation of bond lengths under uniaxial strains is also discussed to provide further insight into the thermal transport behavior.-
dc.languageeng-
dc.publisherRSC Publications. The Journal's web site is located at http://pubs.rsc.org/en/journals/journalissues/tc#!recentarticles&all-
dc.relation.ispartofJournal of Materials Chemistry C-
dc.subjectCrystal atomic structure-
dc.subjectLattice constants-
dc.subjectLattice theory-
dc.subjectLattice vibrations-
dc.subjectPerturbation techniques-
dc.titleAnharmonic lattice dynamics of Te and its counter-intuitive strain dependent lattice thermal conductivity-
dc.typeArticle-
dc.identifier.emailChen, Y: yuechen@hku.hk-
dc.identifier.authorityChen, Y=rp01925-
dc.description.naturelink_to_subscribed_fulltext-
dc.identifier.doi10.1039/C9TC01253B-
dc.identifier.scopuseid_2-s2.0-85066142625-
dc.identifier.hkuros298973-
dc.identifier.volume7-
dc.identifier.issue20-
dc.identifier.spage5970-
dc.identifier.epage5974-
dc.identifier.isiWOS:000472444800008-
dc.publisher.placeUnited Kingdom-
dc.relation.projectA combined theoretical and experimental study of the vibrational and thermal-transport properties of partially liquid-like crystalline solids-
dc.identifier.issnl2050-7526-

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