The DOI matches its Crossref record; 35 of the 35 references it cites were found in a registry or an index.
Lattice Anharmonicity and Thermal Conductivity from Compressive Sensing of First-Principles Calculations
Open accessAbstract
First-principles prediction of lattice thermal conductivity κ(L) of strongly anharmonic crystals is a long-standing challenge in solid-state physics. Making use of recent advances in information science, we propose a systematic and rigorous approach to this problem, compressive sensing lattice dynamics. Compressive sensing is used to select the physically important terms in the lattice dynamics model and determine their values in one shot. Nonintuitively, high accuracy is achieved when the model is trained on first-principles forces in quasirandom atomic configurations. The method is demonstrated for Si, NaCl, and Cu(12)Sb(4)S(13), an earth-abundant thermoelectric with strong phonon-phonon interactions that limit the room-temperature κ(L) to values near the amorphous limit.
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Cited by
Tadano, T., & Tsuneyuki, S. (2015) · Physical Review B · doi:10.1103/physrevb.92.054301 · Cited by 640
SnSe: a remarkable new thermoelectric material
Zhao, L.-D., Chang, C., Tan, G., & Kanatzidis, M. G. (2016) · Energy & Environmental Science · doi:10.1039/c6ee01755j · Cited by 573
Representation of compounds for machine-learning prediction of physical properties
Seko, A., Hayashi, H., Nakayama, K., Takahashi, A., & Tanaka, I. (2017) · Physical Review B · doi:10.1103/physrevb.95.144110 · Cited by 304
Revisiting lattice thermal transport in PbTe: The crucial role of quartic anharmonicity
Xia, Y. (2018) · Applied Physics Letters · doi:10.1063/1.5040887 · Cited by 155
Self-citationFirst Principles Peierls-Boltzmann Phonon Thermal Transport: A Topical Review
Lindsay, L. (2016) · Nanoscale and Microscale Thermophysical Engineering · doi:10.1080/15567265.2016.1218576 · Cited by 129
Metadata
- Authors
- Zhou, F., Nielson, W., Xia, Y., & Ozoliņš, V.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 2014-10-27
- Volume
- 113
- Issue
- 18
- Pages
- 185501-185501
- ISSN
- 0031-9007 (ISSN-L)
- 1079-7114
- OpenAlex
- W2083155481
- Cited by
- 391
- References
- 35
- FWCI
- 7.74
- Type
- journal article
- Language
- en
- Open access
- green
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- Zhou, F., Nielson, W., Xia, Y., & Ozoliņš, V. (2014). Lattice Anharmonicity and Thermal Conductivity from Compressive Sensing of First-Principles Calculations. Physical Review Letters. https://doi.org/10.1103/physrevlett.113.185501
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