Piezoelectricity of zinc-blende and wurtzite structure binary compounds

First-principles calculations were performed on binary compounds of zinc-blende and wurtzite structures to disclose the relationships between the piezoelectric performance and the microscopic structure. The authors defined the structure parameters P and θ to represent the degree of asymmetry in structure. They were found to be linear to piezoelectric constants e14 and e33 for zinc-blende and wurtzite structure binary compounds, respectively.