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Role of Lone-Pair Electrons in Producing Minimum Thermal Conductivity in Nitrogen-Group Chalcogenide Compounds
Abstract
Fully dense crystalline solids with extremely low lattice thermal conductivity (κ(L)) are of practical importance for applications including thermoelectric energy conversion and thermal barrier coatings. Here we show that lone-pair electrons can give rise to minimum κ(L) in chalcogenide compounds that contain a nominally trivalent group VA element. Electrostatic repulsion between the lone-pair electrons and neighboring chalcogen ions creates anharmonicity in the lattice, the strength of which is determined by the morphology of the lone-pair orbital and the coordination number of the group VA atom.
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Citations
Cited by
Rationally Designing High-Performance Bulk Thermoelectric Materials
Tan, G., Zhao, L.-D., & Kanatzidis, M. G. (2016) · Chemical Reviews · doi:10.1021/acs.chemrev.6b00255 · Cited by 2,355
Anharmoncity and low thermal conductivity in thermoelectrics
Chang, C., & Zhao, L.-D. (2018) · Materials Today Physics · doi:10.1016/j.mtphys.2018.02.005 · Cited by 359
Strategies for engineering phonon transport in thermoelectrics
Kim, W. (2015) · Journal of Materials Chemistry C · doi:10.1039/c5tc01670c · Cited by 348
Temperature dependence of dynamic dipole formation in PbTe
Holm, K. A. U., Roth, N., Zeuthen, C. M., Tolborg, K., Feidenhans'l, A. A., & Iversen, B. B. (2020) · Physical Review B · doi:10.1103/physrevb.102.024112 · Cited by 24
Metadata
- Authors
- Skoug, E. J., & Morelli, D. T.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 2011-11-30
- Volume
- 107
- Issue
- 23
- Pages
- 235901-235901
- ISSN
- 0031-9007 (ISSN-L)
- 1079-7114
- OpenAlex
- W2318077258
- Cited by
- 392
- References
- 0
- FWCI
- 3.41
- Type
- journal article
- Language
- en
- Open access
- closed
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- CoChat. (2026). Citation check: Role of Lone-Pair Electrons in Producing Minimum Thermal Conductivity in Nitrogen-Group Chalcogenide Compounds. https://app.cochat.ai/papers/10.1103/physrevlett.107.235901
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- Skoug, E. J., & Morelli, D. T. (2011). Role of Lone-Pair Electrons in Producing Minimum Thermal Conductivity in Nitrogen-Group Chalcogenide Compounds. Physical Review Letters. https://doi.org/10.1103/physrevlett.107.235901
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