Resonant bonding leads to low lattice thermal conductivity
Name
Chen_Resonant bonding with figs and supp files.pdf
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2.62 MB
Format
Adobe PDF
Checksum (MD5)
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Author(s)
Lee, Sangyeop
Esfarjani, Keivan
Luo, Tengfei
Zhou, Jiawei
Tian, Zhiting
Chen, Gang
Date Issued
April 2014
Journal
Nature Communications
Publisher
Nature Publishing Group
Citation
Lee, Sangyeop, Keivan Esfarjani, Tengfei Luo, Jiawei Zhou, Zhiting Tian, and Gang Chen. “Resonant Bonding Leads to Low Lattice Thermal Conductivity.” Nature Communications 5 (April 28, 2014).
Version
Author's final manuscript
Abstract
Understanding the lattice dynamics and low thermal conductivities of IV–VI, V[subscript 2]–VI[subscript 3] 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, Bi[subscript 2]Te[subscript 3], 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.
MIT Department
Massachusetts Institute of Technology. Department of Mechanical Engineering
Terms of Use
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.
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DOI of Published Version
https://doi.org/10.1038/ncomms4525
