The DOI matches its Crossref record; 9 of the 9 references it cites were found in a registry or an index.
Phonon thermal transport in strained and unstrained graphene from first principles
Abstract
A rigorous first principles Boltzmann-Peierls equation (BPE) for phonon transport approach is employed to examine the lattice thermal conductivity, ${\ensuremath{\kappa}}_{L}$, of strained and unstrained graphene. First principles calculations show that the out-of-plane, flexural acoustic phonons provide the dominant contribution to ${\ensuremath{\kappa}}_{L}$ of graphene for all strains, temperatures, and system sizes considered, supporting a previous prediction that used an optimized Tersoff empirical interatomic potential. For the range of finite system sizes considered, we show that the ${\ensuremath{\kappa}}_{L}$ of graphene is relatively insensitive to strain. This provides validation for use of the BPE approach to calculate ${\ensuremath{\kappa}}_{L}$ for unstrained graphene, which has recently been called into question. The temperature and system size dependence of the calculated ${\ensuremath{\kappa}}_{L}$ of graphene is in good agreement with experimental data. The enhancement of ${\ensuremath{\kappa}}_{L}$ with isotopic purification is found to be relatively small due to strong anharmonic phonon-phonon scattering. This work provides insight into the nature of phonon thermal transport in graphene, and it demonstrates the power of first principles thermal transport techniques.
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Cites
Self-Consistent Equations Including Exchange and Correlation Effects
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Two-Dimensional Phonon Transport in Supported Graphene
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Self-citationIntrinsic 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-citationRegner, K. T., Sellan, D. P., Su, Z., Amon, C. H., McGaughey, A. J. H., & Malen, J. A. (2013) · Nature Communications · doi:10.1038/ncomms2630 · Cited by 646
Thermal Conductivity Spectroscopy Technique to Measure Phonon Mean Free Paths
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Thermal Conductivity and Large Isotope Effect in GaN from First Principles
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Cited by
Thermal Conductivity of Graphene and Graphite: Collective Excitations and Mean Free Paths
Fugallo, G., Cepellotti, A., Paulatto, L., Lazzeri, M., Marzari, N., & Mauri, F. (2014) · Nano Letters · doi:10.1021/nl502059f · Cited by 586
Strongly anisotropic in-plane thermal transport in single-layer black phosphorene
Jain, A., & McGaughey, A. J. H. (2015) · Scientific Reports · doi:10.1038/srep08501 · Cited by 549
Phonons and thermal transport in graphene and graphene-based materials
Nika, D. L., & Balandin, A. A. (2017) · Reports on Progress in Physics · doi:10.1088/1361-6633/80/3/036502 · Cited by 359
Ultrahigh thermal conductivity in isotope-enriched cubic boron nitride
Chen, K., Song, B., Ravichandran, N. K., Zheng, Q., Chen, X., Lee, H., Sun, H., Li, S., Udalamatta Gamage, G. A. G., Tian, F., et al. (2020) · Science · doi:10.1126/science.aaz6149 · Cited by 336
Self-citationFan, Z., Pereira, L. F. C., Wang, H.-Q., Zheng, J.-C., Donadio, D., & Harju, A. (2015) · Physical Review B · doi:10.1103/physrevb.92.094301 · Cited by 318
Metadata
- Authors
- Lindsay, L., Li, W., Carrete, J., Mingo, N., Broido, D. A., & Reinecke, T. L.
- Venue
- Physical Review B
- Publisher
- American Physical Society (APS)
- Published
- 2014-04-24
- Volume
- 89
- Issue
- 15
- ISSN
- 1098-0121 (ISSN-L)
- 1550-235X
- OpenAlex
- W2318096221
- Cited by
- 394
- References
- 9
- FWCI
- 18.91
- Type
- journal article
- Language
- en
- Open access
- closed
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