First-Principles Determination of Piezoelectric Stress and Strain Constants of Wurtzite III–V Nitrides

Abstract

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