相变
相(物质)
材料科学
物理
计算机科学
凝聚态物理
量子力学
作者
Bolin Yang,Zhilong Peng,Cun Zhang,Yin Yao,Shaohua Chen,Huajian Gao
摘要
MoTe_{2}, 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 T_{b}^{'} 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 MoTe_{2}-based high-frequency nanoelectronic devices and reducing fabrication-related failures.
科研通智能强力驱动
Strongly Powered by AbleSci AI