Combined Macro/Nanoscale Investigation of the Chemical Vapor Deposition of Fe from Fe(CO)5

Ioannis G. Aviziotis (1) , Thomas Duguet (2) , Constantin Vahlas (2) , Andreas G. Boudouvis (1)

1 NTUA - National Technical University of Athens [Athens]
2 CIRIMAT - Centre interuniversitaire de recherche et d'ingenierie des matériaux

Experiments and computations are performed to model the chemical vapor deposition of iron (Fe) from iron pentacarbonyl (Fe(CO)5). The behavior of the deposition rate is investigated as a function of temperature, in the range 130–250 °C, and pressure in the range 10–40 Torr. Furthermore, the evolution of the surface roughness is correlated with the deposition temperature. By combining previously published mechanisms for the decomposition of Fe(CO)5, a predictive 3D macroscale model of the process is built. Additionally, a nanoscale and a multiscale framework are developed for linking the evolution of the surface of the film with the operating conditions at the reactor scale. The theoretical predictions from the coupled macro/nanoscale models are in very good agreement with experimental measurements indicating poisoning of the surface from carbon monoxide and decrease of the film roughness when temperature increases.

Mots clés: Chemistry mechanisms and kinetics; CVD of Fe; Macro/nanoscale modeling; Microcilia; Roughness simulation

Domaines: Matériaux; Matériaux

Ioannis G. Aviziotis, Thomas Duguet, Constantin Vahlas, Andreas G. Boudouvis. Combined Macro/Nanoscale Investigation of the Chemical Vapor Deposition of Fe from Fe(CO)5. Advanced Materials Interfaces, 2017, pp.1601185. ⟨10.1002/admi.201601185⟩. ⟨hal-01515558⟩