Strain-engineering on mechanical and electronic properties of group IV-V two-dimensional semiconductors

Due to the attractive physical properties, group IV-V materials (A(3)B, A = C, Si, Ge and B = N, P, As) have been received much attention in recent years. In this paper, first-principles calculations have been performed to investigate the elastic and electrical properties in two-dimensional (2D) A(3)B materials. The in-plane stiffness, Poisson's ratio, Young's modulus and ultimate strength of monolayer A(3)Bs along armchair and zigzag direction are calculated. The band gap of monolayer C3N can be modified significantly by the application of strain engineering. We predicted the electron and hole mobility in the armchair (zigzag) direction, rather high and highly anisotropic. Monolayer Ge3N exhibits an extremely high electron mobility of 3.46x10(5)cm(2)V(-1)s(-1) along the zigzag direction. The high mobility and anisotropic characteristics endow A(3)Bs with many potential applications in the field of microelectronics and optoelectronic devices.