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Recent advances in microelectromechanical systems often requiremultifunctional materials, which are designed so as to optimize more than oneproperty. Using density functional theory calculations for alloyed nitridesystems, we illustrate how co-alloying a piezoelectric material (AlN) withdifferent nitrides helps tune both its piezoelectric and mechanical propertiessimultaneously. Wurtzite AlN-YN alloys display increased piezoelectric responsewith YN concentration, accompanied by mechanical softening along thecrystallographic c direction. Both effects increase the electromechanicalcoupling coefficients relevant for transducers and actuators. Resonatorapplications, however, require superior stiffness, thus leading to the need todecouple the increased piezoelectric response from a softened lattice. We showthat co-alloying of AlN with YN and BN results in improved elastic propertieswhile retaining most of the piezoelectric enhancements from YN alloying. Thisfinding may lead to new avenues for tuning the design properties ofpiezoelectrics through composition-property maps.  Keywords: piezoelectricity, electromechanical coupling, density functionaltheory, co-alloying

Tuning the piezoelectric and mechanical properties of the AlN system via alloying with YN and BN