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Abstract:
We present first-principles calculations of piezoelectric coefficients of first and second order for AlN, GaN, InN, and ZnO, along with the composition dependence (bowing) of the linear terms. We show that eight second order coefficients are required and provide a simple description on how to incorporate second order effects in the calculation of the polarization and fields. We demonstrate that the second order effect leads to corrections of the order of 15% for quantum wells and up to 40% for epitaxial quantum dots.
