Electromechanical response of stacking faults in monolayer 4H-SiC under electric field stress

Abstract

The behavior of structural defects in 4H-SiC under electric fields is vital to understanding the reliability of high-power and high-frequency devices. While static defects in SiC are well-studied, their real-time movement under electric field stress is not. This study uses density functional theory (DFT)-based molecular dynamics (MD) to examine how rotational stacking faults (RSFs) migrate in monolayer 4H-SiC under electric fields. By tracking defect positions over time, we analyze atomic velocities and displacements linked to migration. Our results show a localized migration near the stacking faults region, coupled with significant volumetric expansion along the field-transverse direction.