Experimental and simulation approach for process optimization of atomic layer deposited thin films in high aspect ratio 3D structures

Schwille, Matthias C.; Schössler, Timo; Barth, Jonas; Knaut, Martin; Schön, Florian; Höchst, Arnim; Oettel, Martin; Bartha, Johann W.

doi:10.1116/1.4971196

Cited by 35 publications

(49 citation statements)

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“…123, 205301-1 JOURNAL OF APPLIED PHYSICS 123, 205301 (2018) data on conformality has been infrequently reported in scientific articles on ALD, likely due to the absence of available and easy-to-use analysis structures and methods. Notable exceptions are Dendooven (2010), Rose and Bartha (2009), Schwille (2017), andYanguas-Gil (2017).…”

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confidence: 99%

Modeling growth kinetics of thin films made by atomic layer deposition in lateral high-aspect-ratio structures

Ylilammi

Ylivaara

Puurunen

2018

Journal of Applied Physics

288

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The conformality of thin films grown by atomic layer deposition (ALD) is studied using all-silicon test structures with long narrow lateral channels. A diffusion model, developed in this work, is used for studying the propagation of ALD growth in narrow channels. The diffusion model takes into account the gas transportation at low pressures, the dynamic Langmuir adsorption model for the film growth and the effect of channel narrowing due to film growth. The film growth is calculated by solving the diffusion equation with surface reactions. An efficient analytic approximate solution of the diffusion equation is developed for fitting the model to the measured thickness profile. The fitting gives the equilibrium constant of adsorption and the sticking coefficient. This model and Gordon's plug flow model are compared. The simulations predict the experimental measurement results quite well for Al 2 O 3 and TiO 2 ALD processes.

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confidence: 99%

Modeling growth kinetics of thin films made by atomic layer deposition in lateral high-aspect-ratio structures

Ylilammi

Ylivaara

Puurunen

2018

Journal of Applied Physics

288

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“…In addition, the exact influence of the gas-phase development in the reactor on the microscopic deposition processes remains unclear, and the real-time in-situ monitoring of film growth uniformity and local structure is not yet industrially available. Detailed molecular structure can be investigated using scanning electron microscope (SEM) and scanning tunneling microscope (STM), which are destructive to the deposited film [11]. Real-time overall thin-film growth rate may be examined with quartz crystal microbalance (QCM) but the measurement of local deposition rates is beyond QCM's capability [12].…”

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confidence: 99%

Multiscale computational fluid dynamics modeling of thermal atomic layer deposition with application to chamber design

Zhang

Ding

Christofides

2019

Chemical Engineering Research and Design

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This work develops a first-principles-based three-dimensional, multiscale computational fluid dynamics (CFD) model, together with reactor geometry optimizations, of SiO 2 thin-film thermal atomic layer deposition (ALD) using bis(tertiary-butylamino)silane (BTBAS) and ozone as precursors. Specifically, an accurate macroscopic CFD model of the ALD reactor chamber gas-phase development is integrated with a detailed microscopic kinetic Monte-Carlo (kMC) model that was developed in [1], accounting for the microscopic lattice structure, atomic interactions and detailed surface chemical reactions. The multiscale information exchange and the transient simulation of the microscopic distributed kMC algorithms and the macroscopic CFD model are achieved through a parallel processing message passing interface (MPI) structure. Additionally, density functional theory (DFT)-based calculations are used compute the key thermodynamic and kinetic parameters for the microscopic thin-film growth process. Recognizing the transient non-uniformity and the possibility to reduce the current ALD cycle time, the optimal configuration of reactor geometry is designed including a showerhead panel adjustment and geometry modifications on reactor inlet and upstream. It is demonstrated that with suitable reactor chamber design the required BTBAS ALD half-cycle time can be reduced by 39.6%. ii The thesis of Yichi Zhang is approved.

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“…1,8,28 Thus, the tuning of ALD process parameters is needed to achieve a homogeneous coating in high-aspect-ratio (HAR) structures. 1,[29][30][31] For an ideal ALD process, the penetration depth of a coating is known to scale with the square root of the reactant dose, where the dose equals partial pressure of reactant multiplied by exposure time. 29,[32][33][34] The reactivity of the compounds, often described by a (lumped) sticking coefficient c A (A stands for Reactant A), further influences the speed at which uniform thickness is attained.…”

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confidence: 99%

Saturation profile based conformality analysis for atomic layer deposition: aluminum oxide in lateral high-aspect-ratio channels

Yim

Ylivaara

Ylilammi³

et al. 2020

Phys. Chem. Chem. Phys.

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Experimental and simulation approach for process optimization of atomic layer deposited thin films in high aspect ratio 3D structures

Cited by 35 publications

References 6 publications

Modeling growth kinetics of thin films made by atomic layer deposition in lateral high-aspect-ratio structures

Modeling growth kinetics of thin films made by atomic layer deposition in lateral high-aspect-ratio structures

Multiscale computational fluid dynamics modeling of thermal atomic layer deposition with application to chamber design

Saturation profile based conformality analysis for atomic layer deposition: aluminum oxide in lateral high-aspect-ratio channels

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