Molecular dynamics simulation of W Silicon Emitting Centers formation by Ga ion implantation

Silicon Emitting Centers (SEC) constitute promising candidates for quantum telecommunication technologies. Their operation depends on the fabrication of light emitting defect centers such as the triinterstitial Si complex, the W-Center. In this paper the formation of Si tri-interstitial clusters after Ga ion beam bombardment on pure silicon substrates and a subsequent annealing stage is investigated using molecular dynamics (MD) simulations. This study aims to understand the dynamic formation process of W centers after Ga implantation and annealing in order to assist the focused ion beam and annealing experimental systems. A new tri-interstitial cluster identification method is proposed which considers the configuration of the clusters in the Si lattice in order to identify the defects which will act as candidates for the W center. This method successfully identifies W center defect candidates in an ideal system. The number of tri-interstitial clusters increases and spread deeper into the Si for higher energies and their probability of generation increases until a limiting Ga dose. Furthermore, annealing can eliminate a lot of the unwanted defects maintaining at the same time the number of the tri-interstitial clusters, leading to isolated clusters with less distorted local environment.