The DOI matches its Crossref record; 24 of the 24 references it cites were found in a registry or an index.
Lattice thermal conductivity of silicon from empirical interatomic potentials
Abstract
We present calculations of the lattice thermal conductivity of silicon that incorporate several commonly used empirical models of the interatomic potential. Second- and third-order force constants obtained from these potentials are used as inputs to an exact iterative solution of the inelastic phonon Boltzmann equation, which includes the anharmonic three-phonon scattering as well as isotopic defect and boundary scattering. Comparison of the calculated lattice thermal conductivity with the experiment shows that none of these potentials provides satisfactory agreement. Calculations of the mode Gr\"uneisen parameters and the linear thermal expansion coefficient help elucidate the reasons for this. We also examine a set of parameters for one of these empirical potentials that produces improved agreement with both the measured lattice thermal conductivity and the thermal expansion data.
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Citations
Cites
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Cited by
Nanoscale thermal transport. II. 2003–2012
Cahill, D. G., Braun, P. V., Chen, G., Clarke, D. R., Fan, S., Goodson, K. E., Keblinski, P., King, W. P., Mahan, G. D., Majumdar, A., et al. (2014) · Applied Physics Reviews · doi:10.1063/1.4832615 · Cited by 1,763
Intrinsic lattice thermal conductivity of semiconductors from first principles
Broido, D. A., Malorny, M., Birner, G., Mingo, N., & Stewart, D. A. (2007) · Applied Physics Letters · doi:10.1063/1.2822891 · Cited by 978
Self-citationHeat transport in silicon from first-principles calculations
Esfarjani, K., Chen, G., & Stokes, H. T. (2011) · Physical Review B · doi:10.1103/physrevb.84.085204 · Cited by 759
Ab initio theory of the lattice thermal conductivity in diamond
Ward, A., Broido, D. A., Stewart, D. A., & Deinzer, G. (2009) · Physical Review B · doi:10.1103/physrevb.80.125203 · Cited by 655
Self-citationPhonon hydrodynamics in two-dimensional materials
Cepellotti, A., Fugallo, G., Paulatto, L., Lazzeri, M., Mauri, F., & Marzari, N. (2015) · Nature Communications · doi:10.1038/ncomms7400 · Cited by 536
Metadata
- Authors
- Broido, D. A., Ward, A., & Mingo, N.
- Venue
- Physical Review B
- Publisher
- American Physical Society (APS)
- Published
- 2005-07-29
- Volume
- 72
- Issue
- 1
- ISSN
- 1098-0121 (ISSN-L)
- 1550-235X
- OpenAlex
- W1986306976
- Cited by
- 297
- References
- 24
- FWCI
- 1.61
- Type
- journal article
- Language
- en
- Open access
- closed
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