Characterization of Elastic Modulus Across the (Al_1-xSc_x)N System Using DFT and Substrate-Effect-Corrected...

Knowledge of accurate values of elastic modulus of (Al_1-xSc_x)N is required for design of piezoelectric resonators and related devices. Thin films of (Al_1-xSc_x)N across the entire composition space are deposited and characterized. Accuracy of modulus measurements is improved and quantified by removing the influence of substrate effects and by direct comparison of experimental results with density functional theory calculations. The 5%-30% Sc compositional range is of particular interest for piezoelectric applications and is covered at higher compositional resolution here than in previous work. The reduced elastic modulus is found to decrease by as much as 40% with increasing Sc concentration in the wurtzite phase according to both experimental and computational techniques, whereas Sc-rich rocksalt-structured films exhibit little variation in modulus with composition.