Length dependent lattice thermal conductivity of single \& multi layered hexagonal boron nitride: A first-principles study using the Callaway-Klemens \& real space super cell methods
| Autor: | D'Souza, Ransell, Mukherjee, Sugata |
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| Rok vydání: | 2017 |
| Předmět: | |
| Zdroj: | Phys. Rev. B 96, 205422 (2017) |
| Druh dokumentu: | Working Paper |
| DOI: | 10.1103/PhysRevB.96.205422 |
| Popis: | The phonon dispersion, density of states, Gr\"{u}neisen parameters, and the lattice thermal conductivity of single- and multi-layered boron nitride were calculated using first-principles methods. For the bulk {\it h}-BN we also report the two-phonon density of states. We also present simple analytical solutions to the acoustic vibrational mode-dependent lattice thermal conductivity. Moreover, computations based on the elaborate Callaway-Klemens and the real space super cell methods are presented to calculate the sample length and temperature dependent lattice thermal conductivity of single- and multi-layered hexagonal boron nitride which shows good agreement with experimental data. Comment: 13 pages, 7 figures |
| Databáze: | arXiv |
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