Impact of applied biaxial stress on the piezoelectric, elastic, and dielectric properties of scandium aluminum nitride alloys determined by density functional perturbation theory

The effects of biaxial in-plane stress on the elastic, dielectric, and piezoelectric (PE) properties c-axis textured thin film wurtzite phase scandium aluminum nitride (w-ScxAl1−xN) alloys have been calculated with density functional perturbation theory. σR was kept below 1 GPa covering compressive tensile values applied to alloy supercells represented special quasi-random structures. An increasingly (σR > 0) produces higher displacement-response internal-strain coefficients for constituent atoms related PE are more sensitive when fraction x increases. A significant rise relative dielectric permittivity ϵr,33η softening stiffness coefficient c33E also reported 0. effective strain d33,f coupling k33,f2 show a increase 22% 26%, respectively, at = 0.438. Both tend decrease c/a cell parameter ratio structure impact coefficients. Based decomposition stiffness, as well structural data, it is suggested that enhances hexagonal character w-ScxAl1−xN in qualitatively similar manner does. manufacture characterization beneficially stressed substrate w-InyAl1−yN adjusted x, y confirm d33,f.