Unusual Phonon Thermal Transport Mechanisms in Monolayer Beryllene
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arXiv
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| Auteurs principaux: | , |
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| Format: | Preprint |
| Publié: |
2024
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| _version_ | 1866917771789467648 |
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| author | Chowdhury, Sapta Sindhu Paul Mogurampelly, Santosh |
| author_facet | Chowdhury, Sapta Sindhu Paul Mogurampelly, Santosh |
| contents | We compute the thermal conductivity of monolayer beryllene using the linearized phonon Boltzmann transport equation with interatomic force constants obtained from \textit{ab-initio} calculations. Monolayer beryllene exhibits an impressive thermal conductivity of 270 W/m$\cdot$K at room temperature, exceeding that of bulk beryllium by over 100%. Our study reveals a remarkable temperature-dependent behavior: $κ\sim T^{-2}$ at low temperatures, attributed to higher normal phonon-phonon scatterings, and $κ\sim T^{-1}$ at high temperatures, due to Umklapp phonon interactions. Mode-specific analysis reveals that flexural phonons with longer lifetimes are the primary contributors to thermal conductivity, accounting for approximately 80%. This dominance results from their lower scattering rates in the out-of-plane direction due to a restricted phase space for scattering processes. Additionally, our findings highlight suppressed Umklapp scattering and reduced phase space for flexural modes, providing a thorough understanding of the eased thermal conductivity in monolayer beryllene and its potential for advanced thermal management applications. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2409_05766 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Unusual Phonon Thermal Transport Mechanisms in Monolayer Beryllene Chowdhury, Sapta Sindhu Paul Mogurampelly, Santosh Materials Science Mesoscale and Nanoscale Physics We compute the thermal conductivity of monolayer beryllene using the linearized phonon Boltzmann transport equation with interatomic force constants obtained from \textit{ab-initio} calculations. Monolayer beryllene exhibits an impressive thermal conductivity of 270 W/m$\cdot$K at room temperature, exceeding that of bulk beryllium by over 100%. Our study reveals a remarkable temperature-dependent behavior: $κ\sim T^{-2}$ at low temperatures, attributed to higher normal phonon-phonon scatterings, and $κ\sim T^{-1}$ at high temperatures, due to Umklapp phonon interactions. Mode-specific analysis reveals that flexural phonons with longer lifetimes are the primary contributors to thermal conductivity, accounting for approximately 80%. This dominance results from their lower scattering rates in the out-of-plane direction due to a restricted phase space for scattering processes. Additionally, our findings highlight suppressed Umklapp scattering and reduced phase space for flexural modes, providing a thorough understanding of the eased thermal conductivity in monolayer beryllene and its potential for advanced thermal management applications. |
| title | Unusual Phonon Thermal Transport Mechanisms in Monolayer Beryllene |
| topic | Materials Science Mesoscale and Nanoscale Physics |
| url | https://arxiv.org/abs/2409.05766 |