Reversible Phase Transition Enables Rapid Electrical Switching in Multilayer MoTe2 under Cyclic Strain

MoTe2, a promising material for flexible electronics and straintronics, exhibits rapid strain-induced conductivity changes. However, the underlying mechanisms remain poorly understood. Here, through deep-learning molecular dynamics and density-functional theory calculations, we identify a reversible phase transition between the semiconductive Tb′ phase and the semimetallic T∗ phase as the key mechanism driving this phenomenon. This transition, which is highly sensitive to the direction of applied strain, provides valuable insights for optimizing MoTe2-based high-frequency nanoelectronic devices and reducing fabrication-related failures.