Multiscale CFD Modeling of Area-Selective Atomic Layer Deposition: Application to Reactor Design and Operating Condition Calculation

Abstract

Area-selective atomic layer deposition (ASALD) as a bottom-up nanopatterning technique has gained recognition for its ability to address misalignment issues in semiconductor manufacturing. This in silico study investigates process operation conditions for ASALD of SiO2/Al2O3 and reactor optimization by using multiscale computational fluid dynamics (CFD) modeling. Several reactor designs were modeled in Ansys Workbench and their results compared to ensure effective reagent separation and homogeneous exposure to reagents across the wafer. Annular reaction zones and asymmetrical inlets enhanced uniform exposure to reagents and minimized reagent intermixing, which allowed the reactor to tolerate higher rotational speeds. Additionally, low rotation speeds and high species mole fractions were required for complete deposition of a cycle of the ASALD process. This research provides insight into the ASALD process operation and contributes to further industrial versatility.

Predictive Evaluation of Atomic Layer Deposition Characteristics for Synthesis of Al2O3 thin Films

“…While new ALD variants and material chemistries are developed, consistency and reproducibility need to be addressed [7,8]. The JMP tool is an industry-standard for DoE.…”

Atomic layer deposition in advanced display technologies: from photoluminescence to encapsulation

“…As mentioned above, ALD has been applied to the modification of QD-based devices across different scales; thus, multi-scale research and manufacturing methods are urgently required [77]. Thus, as presented in figure 6, first-principles calculations, nucleation dynamics [78], Knudsen flow dynamics, and computational fluid dynamics can be combined to achieve multi-scale simulations.…”

CFD Simulation of the Dosing Behavior within the Atomic Layer Deposition Feeding System

“…To model and visualize the transport processes inside the ALD reactors with different structures, computational fluid dynamics (CFD) has been used. ,− Process parameters such as deposition temperature, precursor concentration, carrier gas flow rate, and precursor pulse time can also be explored via the CFD technique. By incorporating the deposition submodels into the reactor-scale model, the simulation results can reveal how the geometrical and process parameters affect the coverage evolution of the surface species , and the deposited films. , Combining CFD models and atomistic-mesoscopic models, a whole picture of the novel area-selective ALD can be presented via multiscale simulation.…”

“…10,14−18 Process parameters such as deposition temperature, 9 precursor concentration, 19 carrier gas flow rate, 10 and precursor pulse time 20 simulation results can reveal how the geometrical and process parameters affect the coverage evolution of the surface species 21,22 and the deposited films. 20,23 Combining CFD models 24 and atomistic-mesoscopic models, 25 a whole picture of the novel area-selective ALD can be presented via multiscale simulation.…”