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- Scopus: eid_2-s2.0-84899639902
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Article: Resonant bonding leads to low lattice thermal conductivity
Title | Resonant bonding leads to low lattice thermal conductivity |
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Authors | |
Issue Date | 2014 |
Citation | Nature Communications, 2014, v. 5, article no. 3525 How to Cite? |
Abstract | Understanding the lattice dynamics and low thermal conductivities of IV-VI, V2 -VI3 and V materials is critical to the development of better thermoelectric and phase-change materials. Here we provide a link between chemical bonding and low thermal conductivity. Our first-principles calculations reveal that long-ranged interaction along the <100> direction of the rocksalt structure exist in lead chalcogenides, SnTe, Bi2 Te3, Bi and Sb due to the resonant bonding that is common to all of them. This long-ranged interaction in lead chalcogenides and SnTe cause optical phonon softening, strong anharmonic scattering and large phase space for three-phonon scattering processes, which explain why rocksalt IV-VI compounds have much lower thermal conductivities than zincblende III-V compounds. The new insights on the relationship between resonant bonding and low thermal conductivity will help in the development of better thermoelectric and phase change materials. © 2014 Macmillan Publishers Limited. All rights reserved. |
Persistent Identifier | http://hdl.handle.net/10722/343716 |
DC Field | Value | Language |
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dc.contributor.author | Lee, Sangyeop | - |
dc.contributor.author | Esfarjani, Keivan | - |
dc.contributor.author | Luo, Tengfei | - |
dc.contributor.author | Zhou, Jiawei | - |
dc.contributor.author | Tian, Zhiting | - |
dc.contributor.author | Chen, Gang | - |
dc.date.accessioned | 2024-05-27T09:29:30Z | - |
dc.date.available | 2024-05-27T09:29:30Z | - |
dc.date.issued | 2014 | - |
dc.identifier.citation | Nature Communications, 2014, v. 5, article no. 3525 | - |
dc.identifier.uri | http://hdl.handle.net/10722/343716 | - |
dc.description.abstract | Understanding the lattice dynamics and low thermal conductivities of IV-VI, V2 -VI3 and V materials is critical to the development of better thermoelectric and phase-change materials. Here we provide a link between chemical bonding and low thermal conductivity. Our first-principles calculations reveal that long-ranged interaction along the <100> direction of the rocksalt structure exist in lead chalcogenides, SnTe, Bi2 Te3, Bi and Sb due to the resonant bonding that is common to all of them. This long-ranged interaction in lead chalcogenides and SnTe cause optical phonon softening, strong anharmonic scattering and large phase space for three-phonon scattering processes, which explain why rocksalt IV-VI compounds have much lower thermal conductivities than zincblende III-V compounds. The new insights on the relationship between resonant bonding and low thermal conductivity will help in the development of better thermoelectric and phase change materials. © 2014 Macmillan Publishers Limited. All rights reserved. | - |
dc.language | eng | - |
dc.relation.ispartof | Nature Communications | - |
dc.title | Resonant bonding leads to low lattice thermal conductivity | - |
dc.type | Article | - |
dc.description.nature | link_to_subscribed_fulltext | - |
dc.identifier.doi | 10.1038/ncomms4525 | - |
dc.identifier.scopus | eid_2-s2.0-84899639902 | - |
dc.identifier.volume | 5 | - |
dc.identifier.spage | article no. 3525 | - |
dc.identifier.epage | article no. 3525 | - |
dc.identifier.eissn | 2041-1723 | - |