First-principles determination of piezoelectric stress and strain constants of wurtzite III-V nitrides

We have performed first-principles calculations to determine the piezoelectric stress and strain constants, e(ij) and d(ij), of wurtzite BN, AlN, GaN, and InN within local density approximation. d(ij)s are predicted from both direct and indirect calculations and the agreement between them is good. Elastic stiffness constants C-ij are also computed for the indirect calculation of d(ij)s.