The spontaneous polarization, dynamical Born charges, and piezoelectric constants of the III-V nitrides AlN, GaN, and InN are studied ab initio using the Berry-phase approach to polarization in solids. The piezoelectric constants are found to be up to ten times larger than in conventional III-V and II-VI semiconductor compounds, and comparable to those of ZnO. Further properties at variance with those of conventional III-V compounds are the sign of the piezoelectric constants (positive as in II-VI compounds) and the very large spontaneous polarization.

• Received 9 May 1997

DOI:https://doi.org/10.1103/PhysRevB.56.R10024