First-principles calculations of elasticity, polarization-related properties, and nonlinear optical coefficients in Zn-IV-N_2 compounds

摘要

Elastic stiffness and compliance tensor components, spontaneous polarization, piezoelectric constants, and second-order nonlinear optical coefficients in the static limit, including the strain-free (clamped) and stress-free (unclamped) electro-optic tensors, are calculated using the density functional perturbation theory approach for Zn-IV-N_2 compounds with IV=(Si,Ge,Sn) and compared with the corresponding values in III-N with III = (Al,Ga,In).