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The influences of material properties on acoustic wave propagation modes in ZnO/Si bi-layered structures are studied. The transfer matrix method is used to calculate dispersion relations, wave field distributions, and electromechanical coupling coefficients of acoustic wave propagation modes in ZnO/Si bi-layered systems, in which the thickness of the substrate is of the same order of magnitude as the wavelength of the propagating wave modes. The influences of the thin film parameters on the acoustic wave propagation modes and their electromechanical coupling coefficients of the wave modes also are obtained. In addition, some experimental results for characterizing the wave propagation modes and their frequencies have also been obtained, which agree well with the theoretical predictions.