TiOx deposited by magnetron sputtering: a joint modelling and experimental study

Romain Tonneau, Pavel Moskovkin, Andreas Pflug (Supervisor), Stéphane Lucas (Supervisor)

Research output: Contribution to journalArticlepeer-review


This paper presents a 3D multiscale simulation approach to model magnetron reactive sputter deposition of TiOx⩽2 at various O2 inlets and its validation against experimental results. The simulation first involves the transport of sputtered material in a vacuum chamber by means of a three-dimensional direct simulation Monte Carlo (DSMC) technique. Second, the film growth at different positions on a 3D substrate is simulated using a kinetic Monte Carlo (kMC) method. When simulating the transport of species in the chamber, wall chemistry
reactions are taken into account in order to get the proper content of the reactive species in the volume. Angular and energy distributions of particles are extracted from DSMC and used for film growth modelling by kMC.
Along with the simulation, experimental deposition of TiOx coatings on silicon samples placed at different positions on a curved sample holder was performed. The experimental results are in agreement with the simulated ones. For a given coater, the plasma phase hysteresis behaviour, film composition and film morphology are predicted. The used methodology can be applied to any coater and any films. This paves the way to the elaboration of a virtual coater allowing a user to predict composition and morphology of films deposited in silico.
Original languageEnglish
Article number195202
Number of pages19
JournalJournal of Physics D: Applied Physics
Issue number19
Publication statusPublished - 20 Apr 2018


  • plasma modelling
  • Monte Carlo simulation
  • reactive magnetron sputtering
  • film growth
  • titanium oxide
  • Thin film
  • thin film


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