Evolution Mechanism of Sputtered Film Uniformity with the Erosion Groove Size: Integrated Simulation and Experiment.

In this work, Cu thin films were experimentally fabricated at different target-substrate distances by 2-inch and 4-inch circular planar magnetron targets. Meanwhile, the sputtering deposition of Cu thin films was investigated via an integrated multiscale simulation, where the magnetron sputtering discharge was modeled using the Monte Carlo (MC) method, and the sputtered particle transport was simulated using a coupled Monte Carlo (MC) and molecular dynamics (MD) method. Experimental results indicated that, as the target-substrate distance increased from 30 to 120 mm, the film thickness distribution of the 2-inch target sputtering changed from a bell-shaped curve to a line-shaped curve, while that of the 4-inch target sputtering varied from a saddle-shaped curve to a line-shaped curve. The simulation results were accordant with the experimental results. The simulation results revealed that, at a target-substrate distance of 30 mm, the sputtering particle flow from the 2-inch target overlapped strongly near the substrate center, leading to a bell-shaped film thickness distribution, while the increased diameter of the erosion groove on the 4-inch target reduced the superposition effect of the sputtering particle flow near the substrate center, resulting in a saddle-shaped film thickness distribution. In addition, when the target-substrate distance ranged from 30 to 120 mm, the film thickness uniformity of 4-inch target sputtering was superior to that of 2-inch target sputtering, and the underlying mechanism was discussed in detail.

On the Microcrystal Structure of Sputtered Cu Films Deposited on Si(100) Surfaces: Experiment and Integrated Multiscale Simulation.

Sputtered Cu/Si thin films were experimentally prepared at different sputtering pressures and characterized using X-ray diffraction (XRD) and an atomic force microscope (AFM). Simultaneously, an application-oriented simulation approach for magnetron sputtering deposition was proposed in this work. In this integrated multiscale simulation, the sputtered atom transport was modeled using the Monte Carlo (MC) and molecular dynamics (MD) coupling method, and the deposition of sputtered atoms was simulated using the MD method. This application-oriented simulation approach was used to simulate the growth of Cu/Si(100) thin films at different sputtering pressures. The experimental results unveiled that, as the sputtering pressure decreased from 2 to 0.15 Pa, the surface roughness of Cu thin films gradually decreased; (111)-oriented grains were dominant in Cu thin films and the crystal quality of the Cu thin film was gradually improved. The simulation results were consistent with the experimental characterization results. The simulation results revealed that the transformation of the film growth mode from the Volmer-Weber growth mode to the two-dimensional layered growth mode resulted in a decrease in the surface roughness of Cu thin films; the increase in the amorphous compound CuSix and the hcp copper silicide with the decrease in the sputtering pressure was responsible for the improvement of the crystal quality of the Cu thin film. This work proposed a more realistic, integrated simulation scheme for magnetron sputtering deposition, providing theoretical guidance for the efficient preparation of high-quality sputtered films.

Influence of Target-Substrate Distance on the Transport Process of Sputtered Atoms: MC-MD Multiscale Coupling Simulation.

A Monte Carlo (MC) and molecular dynamics (MD) coupling simulation scheme for sputtered particle transport was first proposed in this work. In this scheme, the MC method was utilized to model the free-flight process of sputtered atoms, while the MD model was adopted to simulate the collision between the sputtered atom and background gas atom so as to self-consistently calculate the post-collision velocity of the sputtered atom. The reliability of the MD collision model has been verified by comparing the computation results of the MD model and of an analytical model. This MC-MD coupling simulation scheme was used to investigate the influence of target-substrate distance on the transport characteristic parameters of sputtered Cu atoms during magnetron sputtering discharge. As the target-substrate distance increased from 30 to 150 mm, the peak energy of the incident energy distribution of deposited Cu atoms decreased from 2 to 1 eV due to the gradual thermalization of sputtered atoms. The distribution of differential deposition rate in unit solid angle firstly became more forward-peaked and then reversely approached the cosine distribution, which was agreed with the existing experimental observations. This work is expected to provide a more realistic simulation scheme for sputtered particle transport, which can be further combined with the MD simulation of sputtered film growth to explore the influence mechanism of process parameters on the properties of sputtered film.

Study on the Deposition Uniformity of Triple-Target Magnetron Co-Sputtering System: Numerical Simulation and Experiment.

The uniformity of magnetron-sputtered films can be evaluated using an analytical model whose key parameters, such as included angle cosine and distance between infinitesimal elements, are so far calculated based on targets-substrate geometric relation. This existing computation scheme is not applicable in a triple-target magnetron co-sputtering system with complex targets-substrate geometric relation. In this work, a computation method was proposed to calculate the deposition uniformity of a triple-target magnetron co-sputtering system based on the analytical model. In this method, the coordinates of the infinitesimal elements on the substrate and targets were calibrated in an identical global coordinate system via coordinate transformation, such that the key parameters of the analytical formula can be evaluated by vector computation. The effects of the target-substrate angle and target-substrate distance on the deposition uniformity of a given triple-target magnetron co-sputtering system were investigated via numerical simulation and experiment, respectively. Simulation results were consistent with experimental results. Relevant evolution mechanisms of the deposition uniformity of the co-sputtering system with the variations of target-substrate parameters were discussed in detail based on the simulation results. It is expected that this computation approach can be employed to provide theoretical guidance for the fast and economical fabrication of high-quality, large-area film and composite films.