A B S T R A C T Using first-principles plane-wave calculations in the framework of density functional theory, we calculated the coefficients of elasticity, piezoelectric strain and stress tensors for the buckled V-structure group III-V monolayer materials (GaP, GaAs, InP, InAs). We demonstrated that these compounds have four independent elastic coefficients (c11, c21, c22, c66) and three piezoelectric coefficients (d11, d12, d26). Our analysis shows that the InAs (d11¼ 64.47 p.m./V) and the GaAs (d11¼ 35.39 p.m./V) monolayers exhibit much stronger piezoelectricity than reported two-dimensional materials such as the h-BN and the MoS2 monolayers. These nanomaterials that have simultaneously piezoelectricity and semiconducting behavior are promising candidates for piezotronics and piezo-phototronics applications.

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