Dynamics of faceted thin films formation during vapor deposition

In this study, an anisotropic phase-field model was established to simulate the growth of crystalline thin films during vapor deposition. The formation and evolution of characteristic surface with faceted morphologies were demonstrated, in accordance with the regularly obtained microstructure in the actual experiments. In addition, the influences of deposition parameters, such as the deposition rate and the interfacial energy, on the formation mechanism of the characteristic morphology were also illustrated. While a relatively low surface energy of substrate was regarded, the faceted islands were formed, owing to the anisotropic interfacial energy of thin films. In the condition of a high surface energy of substrate, the layered structures of deposited films were produced, which was corresponding to the Frank–van der Merwe growth mode. As various deposition rates were utilized in the numerical simulations, diverse surface morphologies were developed on the basis of the dominant mechanisms, correlating with the adatom diffusion and the deposition kinetics. According to the calculation results, it was observed that a surface character with flattened morphology was generally driven by the adatom diffusion, while the factor of the deposition kinetics was inclined to roughen the surface of thin films. These numerical simulations enhanced the knowledge of thin film growth and facilitated the progress of the vapor deposition technology for advanced applications. (paper)