Elasticity, band structure, and piezoelectricity of BexZn1−xO alloys

Lattice constants, elasticity, band structure and piezoelectricity of hexagonal wide band gap BexZn1−xO ternary alloys are calculated using first-principles methods. The alloys' lattice constants obey Vegard's law well. As Be concentration increases, the bulk modulus and Young's modulus of the alloys increase, whereas the piezoelectricity decreases. We predict that BexZn1−xO/GaN/substrate (x=0.022x=0.022) multilayer structure can be suitable for high-frequency surface acoustic wave device applications. Our calculated results are in good agreement with experimental data and other theoretical calculations.