“Sputter deposition of MgxAlyOz thin films in a dual-magnetron device : a multi-species Monte Carlo model”. Yusupov M, Saraiva M, Depla D, Bogaerts A, New journal of physics 14, 073043 (2012). http://doi.org/10.1088/1367-2630/14/7/073043
Abstract: A multi-species Monte Carlo (MC) model, combined with an analytical surface model, has been developed in order to investigate the general plasma processes occurring during the sputter deposition of complex oxide films in a dual-magnetron sputter deposition system. The important plasma species, such as electrons, Ar+ ions, fast Ar atoms and sputtered metal atoms (i.e. Mg and Al atoms) are described with the so-called multi-species MC model, whereas the deposition of MgxAlyOz films is treated by an analytical surface model. Targetsubstrate distances for both magnetrons in the dual-magnetron setup are varied for the purpose of growing stoichiometric complex oxide thin films. The metal atoms are sputtered from pure metallic targets, whereas the oxygen flux is only directed toward the substrate and is high enough to obtain fully oxidized thin films but low enough to avoid target poisoning. The calculations correspond to typical experimental conditions applied to grow these complex oxide films. In this paper, some calculation results are shown, such as the densities of various plasma species, their fluxes toward the targets and substrate, the deposition rates, as well as the film stoichiometry. Moreover, some results of the combined model are compared with experimental observations. Note that this is the first complete model, which can be applied for large and complicated magnetron reactor geometries, such as dual-magnetron configurations. With this model, we are able to describe all important plasma species as well as the deposition process. It can also be used to predict film stoichiometries of complex oxide films on the substrate.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.786
Times cited: 2
DOI: 10.1088/1367-2630/14/7/073043
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“Behavior of electrons in a dual-magnetron sputter deposition system : a Monte Carlo model”. Yusupov M, Bultinck E, Depla D, Bogaerts A, New journal of physics 13, 033018 (2011). http://doi.org/10.1088/1367-2630/13/3/033018
Abstract: A Monte Carlo model has been developed for investigating the electron behavior in a dual-magnetron sputter deposition system. To describe the three-dimensional (3D) geometry, different reference frames, i.e. a local and a global coordinate system, were used. In this study, the influence of both closed and mirror magnetic field configurations on the plasma properties is investigated. In the case of a closed magnetic field configuration, the calculated electron trajectories show that if an electron is emitted in (or near) the center of the cathode, where the influence of the magnetic field is low, it is able to travel from one magnetron to the other. On the other hand, when an electron is created at the race track area, it is more or less trapped in the strong magnetic field and cannot easily escape to the second magnetron region. In the case of a mirror magnetic field configuration, irrespective of where the electron is emitted from the cathode, it cannot travel from one magnetron to the other because the magnetic field lines guide the electron to the substrate. Moreover, the electron density and electron impact ionization rate have been calculated and studied in detail for both configurations.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.786
Times cited: 12
DOI: 10.1088/1367-2630/13/3/033018
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“Reactive sputter deposition of TiNx films, simulated with a particle-in-cell/Monte Carlo collisions model”. Bultinck E, Mahieu S, Depla D, Bogaerts A, New journal of physics 11, 023039 (2009). http://doi.org/10.1088/1367-2630/11/2/023039
Abstract: The physical processes in an Ar/N2 magnetron discharge used for the reactive sputter deposition of TiNx thin films were simulated with a 2d3v particle-in-cell/Monte Carlo collisions (PIC/MCC) model. Cathode currents and voltages were calculated self-consistently and compared with experiments. Also, ion fractions were calculated and validated with mass spectrometric measurements. With this PIC/MCC model, the influence of N2/Ar gas ratio on the particle densities and fluxes was investigated, taking into account the effect of the poisoned state of the target.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.786
Times cited: 23
DOI: 10.1088/1367-2630/11/2/023039
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“Plasmonic effects in the neutralization of slow ions at a metallic surface”. Bercx M, Mayda S, Depla D, Partoens B, Lamoen D, Contributions to Plasma Physics (2023). http://doi.org/10.1002/ctpp.202300054
Abstract: Secondary electron emission is an important process that plays a significant role in several plasma‐related applications. As measuring the secondary electron yield experimentally is very challenging, quantitative modelling of this process to obtain reliable yield data is critical as input for higher‐scale simulations. Here, we build upon our previous work combining density functional theory calculations with a model originally developed by Hagstrum to extend its application to metallic surfaces. As plasmonic effects play a much more important role in the secondary electron emission mechanism for metals, we introduce an approach based on Poisson point processes to include both surface and bulk plasmon excitations to the process. The resulting model is able to reproduce the yield spectra of several available experimental results quite well but requires the introduction of global fitting parameters, which describe the strength of the plasmon interactions. Finally, we use an in‐house developed workflow to calculate the electron yield for a list of elemental surfaces spanning the periodic table to produce an extensive data set for the community and compare our results with more simplified approaches from the literature.
Keywords: A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;
Impact Factor: 1.6
DOI: 10.1002/ctpp.202300054
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“Using the macroscopic scale to predict the nano-scale behavior of YSZ thin films”. Lamas JS, Leroy WP, Lu Y-G, Verbeeck J, Van Tendeloo G, Depla D, Surface and coatings technology 238, 45 (2014). http://doi.org/10.1016/j.surfcoat.2013.10.034
Abstract: In this work, Yttria-stabilized zirconia (YSZ) thin films were deposited using dual reactive magnetron sputtering. By varying the deposition conditions, the film morphology and texture of the thin films are tuned and biaxial alignment is obtained. Studying the crystallographic and microstructural properties of the YSZ thin films, a tilted columnar growth was identified. This tilt is shown to be dependent on the compositional gradient of the sample. The variation of composition within a single YSZ column measured via STEM-EDX is demonstrated to be equal to the macroscopic variation on a full YSZ sample when deposited under the same deposition parameters. A simple stress model was developed to predict the tilt of the growing columns. The results indicate that this model not only determines the column bending of the growing film but also confirms that a macroscopic approach is sufficient to determine the compositional gradient in a single column of the YSZ thin films. (C) 2013 Elsevier B.V. All rights reserved.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.589
Times cited: 8
DOI: 10.1016/j.surfcoat.2013.10.034
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“Growth mechanism of biaxially aligned magnesium oxide deposited by unbalanced magnetron sputtering”. Ghekiere P, Mahieu S, De Winter G, De Gryse R, Depla D, Lebedev OI, Diffusion and defect data : solid state data : part B : solid state phenomena
T2 –, 2nd International Conference on Texture and Anisotropy of Polycrystals, JUL 07-09, 2004, Metz, FRANCE 105, 433 (2005). http://doi.org/10.4028/www.scientific.net/SSP.105.433
Abstract: For many years magnesium oxide (MgO) has been a topic of research as buffer layer for high-temperature superconducting copper oxides and as protective layer in plasma display panels. Since epitaxial growth of MgO is expensive, time consuming and size restricted, other techniques have been developed to grow highly oriented MgO layers for industrial processes. MgO thin films were deposited on a tilted polycrystalline substrate by reactive sputtering using an unbalanced magnetron. By varying different deposition parameters, it is possible to grow biaxially aligned MgO layers, i.e. layers with both out-of-plane and in-plane alignment. XRD measurements were performed to examine the crystallographic structure of the thin film. The preferential out-of-plane orientation is analysed by angular scans using the peak intensity of different reflections while the in-plane orientation is determined by (002) pole figures. Fully [111] out-of-plane oriented layers were grown with a strong in-plane alignment. SEM and TEM measurements were performed to reveal the topographical and cross-sectional microstructure and to investigate the texture evolution of the MgO layers. Evolutionary columnar growth and a roof-tile surface have been observed.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Times cited: 5
DOI: 10.4028/www.scientific.net/SSP.105.433
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“Modeling of the target surface modification by reactive ion implantation during magnetron sputtering”. Depla D, Chen ZY, Bogaerts A, Ignatova V, de Gryse R, Gijbels R, Journal of vacuum science and technology: A: vacuum surfaces and films 22, 1524 (2004). http://doi.org/10.1116/1.1705641
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 1.374
Times cited: 13
DOI: 10.1116/1.1705641
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“The origin of Bohm diffusion, investigated by a comparison of different modelling methods”. Bultinck E, Mahieu S, Depla D, Bogaerts A, Journal of physics: D: applied physics 43, 292001 (2010). http://doi.org/10.1088/0022-3727/43/29/292001
Abstract: 'Bohm diffusion' causes the electrons to diffuse perpendicularly to the magnetic field lines. However, its origin is not yet completely understood: low and high frequency electric field fluctuations are both named to cause Bohm diffusion. The importance of including this process in a Monte Carlo (MC) model is demonstrated by comparing calculated ionization rates with particle-in-cell/Monte Carlo collisions (PIC/MCC) simulations. A good agreement is found with a Bohm diffusion parameter of 0.05, which corresponds well to experiments. Since the PIC/MCC method accounts for fast electric field fluctuations, we conclude that Bohm diffusion is caused by fast electric field phenomena.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.588
Times cited: 16
DOI: 10.1088/0022-3727/43/29/292001
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“Sputter-deposited Mg-Al-O thin films: linking molecular dynamics simulations to experiments”. Georgieva V, Saraiva M, Jehanathan N, Lebelev OI, Depla D, Bogaerts A, Journal of physics: D: applied physics 42, 065107 (2009). http://doi.org/10.1088/0022-3727/42/6/065107
Abstract: Using a molecular dynamics model the crystallinity of MgxAlyOz thin films with a variation in the stoichiometry of the thin film is studied at operating conditions similar to the experimental operating conditions of a dual magnetron sputter deposition system. The films are deposited on a crystalline or amorphous substrate. The Mg metal content in the film ranged from 100% (i.e. MgO film) to 0% (i.e. Al2O3 film). The radial distribution function and density of the films are calculated. The results are compared with x-ray diffraction and transmission electron microscopy analyses of experimentally deposited thin films by the dual magnetron reactive sputtering process. Both simulation and experimental results show that the structure of the MgAlO film varies from crystalline to amorphous when the Mg concentration decreases. It seems that the crystalline MgAlO films have a MgO structure with Al atoms in between.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.588
Times cited: 37
DOI: 10.1088/0022-3727/42/6/065107
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“Computer modelling of magnetron discharges”. Bogaerts A, Bultinck E, Kolev I, Schwaederlé, L, van Aeken K, Buyle G, Depla D, Journal of physics: D: applied physics 42, 194018 (2009). http://doi.org/10.1088/0022-3727/42/19/194018
Abstract: In this paper, some modelling approaches to describe direct current (dc) magnetron discharges developed in our research groups will be presented, including an analytical model, Monte Carlo simulations for the electrons and for the sputtered atoms, a hybrid Monte Carlo-fluid model and particle-in-cell-Monte Carlo collision simulations. The strengths and limitations of the various modelling approaches will be explained, and some characteristic simulation results will be illustrated. Furthermore, some other simulation methods related to the magnetron device will be briefly explained, more specifically for calculating the magnetic field distribution inside the discharge, and for describing the (reactive) sputtering.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.588
Times cited: 32
DOI: 10.1088/0022-3727/42/19/194018
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“Elucidating the asymmetric behavior of the discharge in a dual magnetron sputter deposition system”. Yusupov M, Bultinck E, Depla D, Bogaerts A, Applied physics letters 98, 131502 (2011). http://doi.org/10.1063/1.3574365
Abstract: A magnetron discharge is characterized by drifts of the charged particles guiding center, caused by the magnetic field, in contrast to unmagnetized discharges. Because of these drifts, a pronounced asymmetry of the discharge can be observed in a dual magnetron setup. In this work, it is found that the shape of the discharge in a dual magnetron configuration depends on the magnetic field configuration. In a closed configuration, strong drifts were observed in one preferential direction, whereas in a mirror configuration the deflection of the discharge was not so pronounced. Our calculations confirm experimental observations.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.411
Times cited: 4
DOI: 10.1063/1.3574365
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“Rotating cylindrical magnetron sputtering: simulation of the reactive process”. Depla D, Li XY, Mahieu S, van Aeken K, Leroy WP, Haemers J, de Gryse R, Bogaerts A, Journal of applied physics 107, 113307 (2010). http://doi.org/10.1063/1.3415550
Abstract: A rotating cylindrical magnetron consists of a cylindrical tube, functioning as the cathode, which rotates around a stationary magnet assembly. In stationary mode, the cylindrical magnetron behaves similar to a planar magnetron with respect to the influence of reactive gas addition to the plasma. However, the transition from metallic mode to poisoned mode and vice versa depends on the rotation speed. An existing model has been modified to simulate the influence of target rotation on the well known hysteresis behavior during reactive magnetron sputtering. The model shows that the existing poisoning mechanisms, i.e., chemisorption, direct reactive ion implantation and knock on implantation, are insufficient to describe the poisoning behavior of the rotating target. A better description of the process is only possible by including the deposition of sputtered material on the target.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.068
Times cited: 15
DOI: 10.1063/1.3415550
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“Compositional effects on the growth of Mg(M)O films”. Saraiva M, Georgieva V, Mahieu S, van Aeken K, Bogaerts A, Depla D, Journal of applied physics 107, 034902 (2010). http://doi.org/10.1063/1.3284949
Abstract: The influence of the composition on the crystallographic properties of deposited Mg(M)O (with M=Al, Cr, Ti, Y, and Zr) films is studied. For a flexible control of the composition, dual reactive magnetron sputtering was used as deposition technique. Two different approaches to predict the composition are discussed. The first is an experimental way based on the simple relationship between the deposition rate and the target-substrate distance. The second is a route using a Monte Carlo based particle trajectory code. Both methods require a minimal experimental input and enable the user to quickly predict the composition of complex thin films. Good control and flexibility allow us to study the compositional effects on the growth of Mg(M)O films. Pure MgO thin films were grown with a (111) preferential out-of-plane orientation. When adding M to MgO, two trends were noticed. The first trend is a change in the MgO lattice parameters compared to pure MgO. The second tendency is a decrease in the crystallinity of the MgO phase. The experimentally determined crystallographic properties are shown to be in correspondence with the predicted properties from molecular dynamics simulations.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.068
DOI: 10.1063/1.3284949
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“The importance of an external circuit in a particle-in-cell/Monte Carlo collisions model for a direct current planar magnetron”. Bultinck E, Kolev I, Bogaerts A, Depla D, Journal of applied physics 103, 013309 (2008). http://doi.org/10.1063/1.2828155
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.068
Times cited: 29
DOI: 10.1063/1.2828155
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“Dynamic Monte Carlo simulation for reactive sputtering of aluminium”. Chen ZY, Bogaerts A, Depla D, Ignatova V, Nuclear instruments and methods in physics research: B 207, 415 (2003). http://doi.org/10.1016/S0168-583X(03)01120-0
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 1.109
Times cited: 20
DOI: 10.1016/S0168-583X(03)01120-0
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“The influence of Cr and Y on the micro structural evolution of Mg―Cr―O and Mg―Y―O thin films”. Jehanathan N, Georgieva V, Saraiva M, Depla D, Bogaerts A, Van Tendeloo G, Thin solid films : an international journal on the science and technology of thin and thick films 519, 5388 (2011). http://doi.org/10.1016/j.tsf.2011.02.050
Abstract: The compositional influence of Cr and Y on the microstructure of Mg―Cr―O, and Mg―Y―O films synthesized by reactive magnetron sputtering has been investigated by transmission electron microscopy, X-ray diffraction and molecular dynamics simulations. A decrease in crystallinity is observed in these films as the M (Cr or Y) content is increased. It is found that M forms a solid solution with MgO for metal ratios up to ~ 70% and ~ 50% for Cr and Y respectively. Above ~ 70% Cr metal ratio the Mg―Cr―O films are found to be completely amorphous. The Mg―Y―O films are composed of Mg(Y)O and Y2O3 nano crystallites, up to ~ 50% Y metal ratio. Above this ratio, only Y2O3 nano crystallites are found. The preferential < 111> MgO grain alignment is strongly affected by the increase in M content. For M metal ratios up to ~ 50%, there is a selective promotion of the < 100> MgO grain alignments and a decline in the < 111> grain alignments.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Electron microscopy for materials research (EMAT)
Impact Factor: 1.879
Times cited: 4
DOI: 10.1016/j.tsf.2011.02.050
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“Influence of the Ar/O2 ratio on the growth and biaxial alignment of yttria stabilized zirconia layers during reactive unbalanced magnetron sputtering”. Mahieu S, Ghekiere P, de Winter G, Depla D, de Gryse R, Lebedev OI, Van Tendeloo G, Thin solid films : an international journal on the science and technology of thin and thick films 484, 18 (2005). http://doi.org/10.1016/j.tsf.2005.01.021
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 1.879
Times cited: 23
DOI: 10.1016/j.tsf.2005.01.021
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“Biaxially aligned titanium nitride thin films deposited by reactive unbalanced magnetron sputtering”. Mahieu S, Ghekiere P, de Winter G, de Gryse R, Depla D, Van Tendeloo G, Lebedev OI, Surface and coatings technology 200, 2764 (2006). http://doi.org/10.1016/j.surfcoat.2004.09.012
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.589
Times cited: 36
DOI: 10.1016/j.surfcoat.2004.09.012
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“Mechanism of preferential orientation in sputter deposited titanium nitride and yttria-stabilized zirconia layers”. Mahieu S, Ghekiere P, de Winter G, Heirwegh S, Depla D, de Gryse R, Lebedev OI, Van Tendeloo G, Journal of crystal growth 279, 100 (2005). http://doi.org/10.1016/j.jcrysgro.2005.02.014
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 1.751
Times cited: 41
DOI: 10.1016/j.jcrysgro.2005.02.014
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“Particle-in-cell/Monte Carlo collisions model for the reactive sputter deposition of nitride layers”. Bultinck E, Mahieu S, Depla D, Bogaerts A, Plasma processes and polymers 6, S784 (2009). http://doi.org/10.1002/ppap.200931904
Abstract: A 2d3v Particle-in-cell/Monte Carlo collisions (PIC/MCC) model was constructed for an Ar/N2 reactive gas mixture in a magnetron discharge. A titanium target was used, in order to study the sputter deposition of a TiNx thin film. Cathode currents and voltages were calculated self-consistently and compared with experiments. Also, ion fluxes to the cathode were calculated, which cause sputtering of the target. The sputtered atom fluxes from the target, and to the substrate were calculated, in order to visualize the deposition of the TiNx film.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.846
Times cited: 2
DOI: 10.1002/ppap.200931904
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“Influence of Al content on the properties of MgO grown by reactive magnetron sputtering”. Saraiva M, Chen H, Leroy WP, Mahieu S, Jehanathan N, Lebedev O, Georgieva V, Persoons R, Depla D, Plasma processes and polymers 6, S751 (2009). http://doi.org/10.1002/ppap.200931809
Abstract: In the present work, reactive magnetron sputtering in DC mode was used to grow complex oxide thin films, starting from two separate pure metal targets. A series of coatings was produced with a stoichiometry of the film ranging from MgO, over MgxAlyOz to Al2O3. The surface energy, crystallinity, hardness, refractive index, and surface roughness were investigated. A relationship between all properties studied and the Mg content of the samples was found. A critical compositional region for the Mg-Al-O system where all properties exhibit a change was noticed.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.846
Times cited: 13
DOI: 10.1002/ppap.200931809
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“Biaxially aligned yttria stabilized zirconia and titanium nitride layers deposited by unbalanced magnetron sputtering”. Mahieu S, Ghekiere P, de Winter G, de Gryse R, Depla D, Lebedev OI, Diffusion and defect data : solid state data : part B : solid state phenomena
T2 –, 2nd International Conference on Texture and Anisotropy of Polycrystals, JUL 07-09, 2004, Metz, FRANCE 105, 447 (2005)
Abstract: Control of the texture and the biaxial alignment of sputter deposited films has provoked a great deal of interest due to its technological importance. indeed, many physical properties of thin films are influenced by the biaxial alignment. In this context, extensive research has been established to understand the growth mechanism of biaxially aligned Yttria Stabilized Zirconia (YSZ) as a buffer layer for high temperature superconducting copper oxides. In this work, the growth mechanism in general and the mechanism responsible of the biaxial alignment in detail were investigated for thin films of YSZ and TiN deposited by unbalanced magnetron sputtering using non-aligned polycrystalline stainless steel substrates. The mechanism responsible for the preferential out-of-plane alignment has been investigated by performing depositions on a non-tilted substrate. However, to study the in-plane alignment a tilted substrate was used. The microstructure of the deposited layers was characterised by Scanning Electron Microscopy (SEM) and Transmission Electron Microscopy (TEM). The crystallographic alignment has been investigated by X-ray diffraction (XRD) (angular scans and pole figures) and by Selective Area Diffraction (SAD). It was observed that the deposited layers show a zone T or zone II structure and the layers with a zone T structure consist of faceted grains. There seems to be a correlation between the crystal habit of these faceted grains and the measured biaxial alignment. A model for the preferential out-of-plane orientation, the in-plane alignment and the correlation between the microstructure and the biaxial alignment is proposed.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
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