Thermal Transport and Application Reassessment of ThSi${}_2$N${}_4$ Monolayer: From FET Channel to Thermoelectric Material

Abstract

The two-dimensional M${}_2$Z${}_4$ materials are proposed as suitable replacements for silicon channels in field-effect transistors (FETs). In the present work, the ThSi${}_2$N${}_4$ monolayer from the family, with the very appropriate electron mobility, is thermally investigated using the non-equilibrium Monte Carlo simulation of the phonon Boltzmann transport equation. The reliability of the MOSFET with the ThSi${}_2$N${}_4$ channel has been reassessed and determined to be low due to the high maximum temperature achieved. The phonon analysis is performed and reveals that the dominant contribution of fast and energetic LA and also slow and low energy ZA phonons alongside the minor participation of the TA phonons is responsible for the peak temperature rise reaching 800 K. This finding presents that the ThSi${}_2$N${}_4$ monolayer is not a good candidate for replacing as silicon channel but alternatively is capable of generating a significant temperature gradient, which makes it, a suitable candidate for using as a thermoelectric material in thermoelectric generators.