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
Phys. Rev. B 96, 205422 (2017) 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 sta...
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07-11-2017
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| Abstract | Phys. Rev. B 96, 205422 (2017) 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. |
|---|---|
| AbstractList | Phys. Rev. B 96, 205422 (2017) 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. |
| Author | Mukherjee, Sugata D'Souza, Ransell |
| Author_xml | – sequence: 1 givenname: Ransell surname: D'Souza fullname: D'Souza, Ransell – sequence: 2 givenname: Sugata surname: Mukherjee fullname: Mukherjee, Sugata |
| BackLink | https://doi.org/10.1103/PhysRevB.96.205422$$DView published paper (Access to full text may be restricted) https://doi.org/10.48550/arXiv.1711.02366$$DView paper in arXiv |
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| Snippet | Phys. Rev. B 96, 205422 (2017) The phonon dispersion, density of states, Gr\"{u}neisen parameters, and the
lattice thermal conductivity of single- and... |
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| Title | 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 |
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