Beyond Transistors: Thermal Transport and Thermoelectric Potential of the ThSi2N4 Monolayer
Oral-Virtual · Withdrawn
Abstract
The ThSi2N4 monolayer, a member of the emerging M2Z4 family of two-dimensional materials,has been proposed as a high-mobility candidate for field-effect transistor (FET) channels.
In this work, we investigate its thermal transport behavior using non-equilibrium Monte Carlo simulations of the phonon Boltzmann transport equation. The results show that ThSi2N4 exhibits
markedly higher peak temperatures, up to 800 K, compared with other M2Z4 compounds such as MoSi2N4. This pronounced thermal rise mainly originates from the dominant contribution
of high-frequency longitudinal acoustic phonons, along with slower out-of-plane and minor transverse acoustic modes. The resulting thermal buildup may limit its reliability in FET
applications. However, the strong temperature gradients and distinctive phonon transport characteristics suggest promising potential for thermoelectric conversion, positioning ThSi2N4 as a
viable candidate for thermoelectric generator technologies.
In this work, we investigate its thermal transport behavior using non-equilibrium Monte Carlo simulations of the phonon Boltzmann transport equation. The results show that ThSi2N4 exhibits
markedly higher peak temperatures, up to 800 K, compared with other M2Z4 compounds such as MoSi2N4. This pronounced thermal rise mainly originates from the dominant contribution
of high-frequency longitudinal acoustic phonons, along with slower out-of-plane and minor transverse acoustic modes. The resulting thermal buildup may limit its reliability in FET
applications. However, the strong temperature gradients and distinctive phonon transport characteristics suggest promising potential for thermoelectric conversion, positioning ThSi2N4 as a
viable candidate for thermoelectric generator technologies.
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Publication: https://doi.org/10.48550/arXiv.2507.06356 (preprint)
Presenters
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maryam mirzaei farshmi
- tarbiat modares