Terahertz acoustic wave on piezoelectric semiconductor film via large-scale molecular dynamics simulation

By atomistic simulation, we investigate an acoustic wave at THz frequencies in nanoscale thin films of aluminum-nitride piezoelectric material. A mode analysis reveals that the thickness longitudinal mode along the [0001] direction exists stably at the atomic level. To control the acoustic wave, we introduce a phononic crystal (PC) structure in the films. We determine the band-gap frequency in the phonon dispersion of the PC structure and confirm via molecular dynamics simulation that the acoustic wave within the band-gap frequency can be confined by a waveguide structure with a PC. The possibility of designing and controlling a THz acoustic wave in a nanoscale thin film with a PC is thereby demonstrated.