Piezoelectric properties of substitutionally doped <i>β</i>-Ga₂O₃

Modern semiconductor materials are increasingly used in multidisciplinary systems demonstrating cross-interactions between mechanical strains and electronic potentials, which gives rise to ubiquitous applications high sensitivity, self-powered sensor devices. One of the fundamental prerequisites for such exhibit piezoelectric properties is noncentrosymmetry crystal structures. β-Ga2O3 has been an emerging compound material due its ultra-wide bandgap. However, pristine inversion center, displaying no effect. This work discovered that substitutionally doped possesses property by using first principles method, while a majority previous research on substitutional doping focused purposes increasing electrical conductivity formation heterojunctions. More interestingly, it unveiled from this energy clear relation with coefficient.