Semiconducting two-dimensional group VA-VA haeckelite compounds with superior carrier mobility.

A series of two-dimensional (2D) single-layer binary group VA-VA crystals, where VA represents P, As, Sb and Bi, are explored by the first-principles calculations. Unlike the orthorhombic α-phase and hexagonal β-phase, these crystals have a tetragonal haeckelite lattice and are named as T-VA-VAs. These ultrathin 2D materials have high thermal stability and are semiconductors with moderate band gaps ranging from 0.