The DOI matches its Crossref record; 4 of the 4 references it cites were found in a registry or an index.
Anharmonic properties from a generalized third-order ab initio approach: Theory and applications to graphite and graphene
Open accessAbstract
We have implemented a generic method, based on the $2n+1$ theorem within density functional perturbation theory, to calculate the anharmonic scattering coefficients among three phonons with arbitrary wave vectors. The method is used to study the phonon broadening in graphite and graphene mono- and bilayers. The broadening of the high-energy optical branches is highly nonuniform and presents a series of sudden steps and spikes. At finite temperature, the two linearly dispersive acoustic branches TA and LA of graphene have nonzero broadening for small wave vectors. The broadening in graphite and bilayer graphene is, overall, very similar to the graphene one, the most remarkable feature being the broadening of the quasiacoustical Z-polarized branch. Finally, we study the intrinsic anharmonic contribution to the thermal conductivity of the three systems, within the single mode relaxation time approximation. We find the conductance to be in good agreement with experiments in the out-of-plane direction but underestimate by a factor 2 in-plane.
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Cites
Thermal properties of graphene and nanostructured carbon materials
Balandin, A. A. (2011) · Nature Materials · doi:10.1038/nmat3064 · Cited by 6,244
Two-Dimensional Phonon Transport in Supported Graphene
Seol, J. H., Jo, I., Moore, A. L., Lindsay, L., Aitken, Z. H., Pettes, M. T., Li, X., Yao, Z., Huang, R., Broido, D., et al. (2010) · Science · doi:10.1126/science.1184014 · Cited by 1,926
Electronic Structure: Basic Theory and Practical Methods
Martin, R. M. (2004) · doi:10.1017/cbo9780511805769 · Cited by 1,752
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
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Self-citationThermal 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
Self-citationPhonons 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
Temperature-Dependent Mean Free Path Spectra of Thermal Phonons Along the c-Axis of Graphite
Zhang, H., Chen, X., Jho, Y.-D., & Minnich, A. J. (2016) · Nano Letters · doi:10.1021/acs.nanolett.5b04499 · Cited by 106
Metadata
- Authors
- Paulatto, L., Mauri, F., & Lazzeri, M.
- Venue
- Physical Review B
- Publisher
- American Physical Society (APS)
- Published
- 2013-06-07
- Volume
- 87
- Issue
- 21
- ISSN
- 1098-0121 (ISSN-L)
- 1550-235X
- OpenAlex
- W2033666799
- Cited by
- 233
- References
- 4
- FWCI
- 7.40
- Type
- journal article
- Language
- en
- Open access
- green
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