Effects of temperature on Cu structure deposited on Si substrate: A molecular dynamics study

The deposition process of copper onto silicon substrate was studied by the molecular dynamics method. Tersoff, MEAM, and Morse potentials were used to describe the interaction of Si-Si Cu-Cu, and Cu-Si, respectively. Deposition process was performed using NVE ensemble and applying Berendsen thermostat with 0,2 fs timestep for 100 ps. The effect of substrate temperature on the percentage of amorphous structure, radial distribution function (RDF), and coordination number was investigated. The result was indicated that at 300 K, the percentage of amorphous structure was relatively lower compared to another temperature. First peaks of RDF at each temperature were found at radius 3,05 Å and were still relatively wide, indicating short-range order structure.