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Simulations of oxide films growth deposited by magnetron sputtering and evaluation of their morphology and optical properties
Tonneau, Romain; Moskovkin, Pavel; Lucas, Stéphane
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2018
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Tonneau, R, Moskovkin, P & Lucas, S 2018, 'Simulations of oxide films growth deposited by magnetron sputtering and evaluation of their morphology and optical properties', PLASMA DIAGNOSTICS AND MODELLING WORKSHOP
, Mons, Belgium, 7/02/18 - 8/02/18.
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LARN – 61 rue de Bruxelles – 5000 Namur – BELGIUM – tel: +32(0)81 72 54 91 – fax: +32(0)81 72 54 74 – e-mail: pavel.moskovkim@unamur.be
LARN, Research centre in Physics of Matter and Radiation
University of Namur, BELGIUM
S
imulations of oxide films growth deposited by
magnetron sputtering and evaluation of their
morphology and optical properties
Introduction
In order to simulate the growth of oxides thin film by vacuum deposition methods, a model based on kinetic Monte Carlo (kMC) approach on a three-dimensional lattice has been developed. The model takes into account deposition of different species, metallic and reactive.
Both metallic and reactive fluxes may consist of atoms as well as ions having their own energy and angular distributions.
Effects of deposition of energetic particles are also taken into account. These effects are energy transfer from the projectiles to the film, sputtering of the film as well as re-deposition.
Plasma simulations + Film growth simulations + Film
analysis
Evolution of morphology with oxidation degree
Conclusions
A three-dimensional kinetic Monte Carlo code has been developed to simulate the growth of non metallic thin film by vacuum deposition methods and evaluation of film properties. Comparison with TiO2 films deposited by magnetron sputtering was chosen. The presented model is able to predict the stoichiometry of the film as well as its morphology as a function of the parameters of Ti and O flows to the substrate and the relative amount of oxygen in the deposition chamber.
It is shown that the metallic flux forms the skeleton of the structure and the flux of a reactive gas serves for its « decoration » and only slightly influences the final morphology.
In order to get:
• Film structure • Morphology
• Properties (roughness, hardness, optical properties, …)
Pavel Moskovkin, Romain Touneau, Stephane Lucas
Film morphology optical properties
0 10 20 30 40 50 60 70 80 0 30 60 90 120 150 180 210 240 270 300 330 0 10 20 30 40 50 60 70 80 Azimuth angle , [o] P o la r a n g le , [ o ] 0 3.563E8 7.125E8 1.069E9 1.425E9 1.781E9 2.138E9 2.494E9 2.850E9 0 10 20 30 40 50 60 70 80 0 30 60 90 120 150 180 210 240 270 300 330 0 10 20 30 40 50 60 70 80 0 4.200E8 8.400E8 1.260E9 1.680E9 2.100E9 2.520E9 2.940E9 3.360E9 P o la r a n g le , [ o ] Azimuth angle , [o] Azimuth angle , [o]
Simulation of TiO2 film growth by magnetron deposition on non flat substrate
Position 33 (Upper right) Position 22
(Center)
Experiments (left) by J.Dervaux et al. (Umons). Simulations (right) by NASCAM
0.1 1 10 100 1000 10000 0.0 0.5 1.0 1.5 2.0 NASCAM RBS DSMC S to ic h io m e tr y
Oxygen/Ti (incident flux)
2 4 6 8
Oxygen inlet flow (sccm)
O2 inlet flow : 2sccm; Incident flux: O/Ti = 0.5 Porosity = 7% O2 inlet flow : 4sccm; Incident flux: O/Ti = 6.5 Porosity = 7% O2 inlet flow : 6sccm; Incident flux: O/Ti = 50 Porosity = 11% O2 inlet flow : 8sccm; Incident flux: O/Ti = 8700 Porosity = 15% Simulation model
• Deposition of two species with their own specific fluxes
• Deposition of energetic particles - energy transfer to the film
• Characterization of the film – density, roughness, X-ray
diffraction, reflectance
• Number of atoms: up to 107; • Substrate size: up to
100x100 nm2;
• Simulation time: 1 day in a ballistic mode for maximum of simulation parameters. 0 2 4 6 8 10 0 5 10 15 20 25 30 simulations experiments T ilti n g a n g le ( d e g re e ) Oxygen inlet (sccm) Oxide mode Metallic mode
The tilting angles become smaller with the rise of a partial oxygen deposition flux .
• Ti flux is directional
• Oxygen flux is uniform.
→ High partial oxygen coatings have lower directionality
DSMC simulations: software from A. Pflug, IST, Germany
Center Upper right
TiOx film stoichiometry vs
Oxygen inlet flow TiOx optical properties vs film morphology
Center,
porosity = 4% Upper right , porosity = 15%
300 400 500 600 700 800 0 5 10 15 20 25 30 35 40 Re flectance (%) wavelength (nm) Centre Upper right
