First-principles calculation of in-plane and out-of-plane piezoelectric properties of two-dimensional Janus MoSSiX2 (X = N, P, As) monolayers

Abstract

Janus MoSSiX2 (X = N, P, As) monolayers exhibit excellent piezoelectric properties. The in-plane piezoelectric coefficient is 1.87–5.35 pm V−1, and the out-of-plane piezoelectric coefficient is 0.16–0.34 pm V−1.