DOE OSTI · 2578267
Distinct anharmonic characteristics of phonon-driven lattice thermal conductivity and thermal expansion in bulk MoSe 2 and WSe 2
Abstract
Machine-learning molecular dynamics simulations pave the way to completely treat the anharmonicity of phonons. Low-energy anharmonic modes in transition-metal dichalcogenides drive the thermal and transport properties.
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Gupta, Mayanak (ORCID:0000000290162438), Kumar, Sajan, Mittal, Ranjan (ORCID:0000000337299352), Mishra, Sanjay, Rols, Stephane, Delaire, Olivier (ORCID:0000000312302834), Thamizhavel, Arumugum, Sastry, P., Chaplot, Samrath (ORCID:000000029888518X). 2023-01-01. Distinct anharmonic characteristics of phonon-driven lattice thermal conductivity and thermal expansion in bulk MoSe 2 and WSe 2. https://doi.org/10.1039/d3ta03830k
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