面内双轴应力作用下单层黑磷能带性质研究

Band structure of monolayer black phosphorus under different intraplanar biaxial strain

通过第一性原理对平面内双轴应力作用下的单层黑磷能带结构进行了计算.双轴拉伸应力作用下单层黑磷始终保持直接带隙性质,双轴压缩应力作用下的单层黑磷则发生了直接带隙转变为间接带隙的现象,当双轴压缩应力增加到7%时单层黑磷带隙闭合.

In this paper,the effect of intraplanar biaxial strain on the band structure of monolayer black phosphorus(BP)has been studied by using first-principles methods.Under the biaxial tension strain,the monolayer BP is a direct band gap semiconductor.Under the biaxial compression strain,the monolayer of BP changes from direct band gap to indirect band gap.When the biaxial compression strain increases to 7%,the band gap of monolayer BP closes.