Novel Two-Dimensional Layered MSi$_2$N$_4$ (M = Mo, W): New Promising Thermal Management Materials

Chen Shen; Lei Wang; Donghai Wei; Yixuan Zhang; Guangzhao Qin; Xing-Qiu Chen; Hongbin Zhang

doi:10.1039/D1CP03941E

paper

Novel Two-Dimensional Layered MSi $_{2}$ N $_{4}$ (M = Mo, W): New Promising Thermal Management Materials

arXiv:2108.03671 · doi:10.1039/D1CP03941E

Abstract

With the miniaturization and integration of nanoelectronic devices, efficient heat removal becomes a key factor affecting the reliable operation of the nanoelectronic device. With the high intrinsic thermal conductivity, good mechanical flexibility, and precisely controlled growth, two-dimensional (2D) materials are widely accepted as ideal candidates for thermal management materials. In this work, by solving the phonon Boltzmann transport equation (BTE) based on first-principles calculations, we comprehensively investigated the thermal conductivity of novel 2D layered MSi $_{2}$ N $_{4}$ (M = Mo, W). Our results point to competitive thermal conductivities (162 W/mK) of monolayer MoSi $_{2}$ N $_{4}$ , which is around two times larger than that of WSi $_{2}$ N $_{4}$ and seven times larger than that of silicene despite their similar non-planar structures. It is revealed that the high thermal conductivity arises mainly from its large group velocity and low anharmonicity. Our result suggests that MoSi $_{2}$ N $_{4}$ could be a potential candidate for 2D thermal management materials.

Novel Two-Dimensional Layered MSi2​N4​ (M = Mo, W): New Promising Thermal Management Materials

Abstract

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Novel Two-Dimensional Layered MSi $_{2}$ N $_{4}$ (M = Mo, W): New Promising Thermal Management Materials