Electric Field Coupled Molecular Dynamic Insights into Anisotropic Reliability Issues of Monolayer MoS2 Based 2D FETs

Utilizing novel 2D materials for sub-5 nm nodes has become a choice for semiconductor industries due to the degraded performance of silicon in these ultra-scaled nodes. However, the reliability concerns in 2D materials remain to be addressed yet. In this work, for the first time, we report an in-plane electric field coupled molecular dynamics (MD) to investigate the impact of electric field and Joule's heating at an atomic level in 2D monolayer Mos2.The results indicate a breakdown vulnerability in the zigzag direction at a lower electric field than in the armchair direction under similar conditions. Moreover, it is observed that a high voltage ramp rate (dV/dt) and Joule's heating enhance tensile strain of Mo-S bonds which further lowers the breakdown field of Mos2.This work provides atomistic insights into dynamics of Mos2and implications of its anisotropic nature on its reliability in 2D FETs.