MODEL OF PIEZOELECTRIC COEFFICIENT OF HEXAGONAL TWO-DIMENSIONAL MATERIALS

A quantum mechanical microscopic model of the piezoelectric effect in two-dimensional materials is presented. The model incorporates a Keating-like model for the strain energy and a bond-orbital model for the electronic structure. The model only requires atomic energies and the elasticity constants as input parameters. The piezoelectric coefficients of a number of II-VI, III-V and IV-VI materials have been computed; results for the IV-VI materials are obtained for the first time