Monte Carlo Simulation of Chemical Reactions in Plasma Enhanced Chemical Vapor Deposition: from Microscopic View to Macroscopic Results

• Published in: SILICON 2019-06, Vol.11 (3), p.1267-1274
• Main Authors: Babahani, O., Hadjadj, S., Khelfaoui, F., Kebaili, H. O., Lemkeddem, S.
• Format: Article
• Language: English
• Subjects: Atoms & subatomic particles; Chemical reactions; Chemical vapor deposition; Chemistry; Chemistry and Materials Science; Electron impact; Energy; Environmental Chemistry; Hydrogen; Hydrogenation; Inorganic Chemistry; Lasers; Materials Science; Monte Carlo simulation; Optical Devices; Optics; Original Paper; Photonics; Plasma; Plasma enhanced chemical vapor deposition; Polymer Sciences; Probability; Radicals; Silicon; Surface reactions; Thin films; Vapor phases
• ISSN: 1876-990X; 1876-9918
• DOI: 10.1007/s12633-018-9916-y

We propose in the present work a Monte Carlo Simulation (MCS) of chemical reactions occurring in Plasma Enhanced Chemical Vapor Deposition (PECVD) reactor during the a-Si:H growth. From a microscopic view of chemical reactions, this MCS allowed to obtain macroscopic results. In gas phase, important reactions have been identified that contribute to the production of H, SiH 2 and SiH 3 . We found that SiH 4 →SiH 2 + 2H is the dominant silane electron-impact dissociation. We found that the reaction SiH 4 + H →SiH 3 + H 2 plays a central role in the production of SiH 3 radicals. At the surface, the microscopic view allowed us to calculate site and surface reaction probabilities of SiH 3 radicals. Results at macroscopic level were consistent with other works.