Multiscale computational fluid dynamics modeling of thermal atomic layer etching: Application to chamber configuration design

Abstract

Atomic layer etching (ALE) is a promising method that can overcome the challenges that are encountered during the assembly of nanoscale devces. Experiments may be conducted to investigate chamber configuration designs and optimal operating conditions; however, they can be costly and time consuming. Therefore, this work develops a multiscale computational fluid dynamics (CFD) modeling framework to simulate thermal ALE of aluminum oxide thin films. First, a CFD reactor model for four different reactor designs (typical, multi-inlet, showerhead, and inclined plate) is constructed through Ansys software. Next, the macroscopic CFD model is combined with a previously developed microscopic model of the etching process, which is based on a kinetic Monte Carlo algorithm to describe the features of the atomistic etching processes occurring on the film. The multiscale CFD model is used to determine the best reactor configuration for achieving film etching uniformity while minimizing process operating time resulting in a reduction of reagent consumption.