Reactor Scale Simulation of Atomic Layer Deposition

Abstract

In order to modify the characteristics of an atomic layer deposition (ALD) process, a numerical model to simulate a general ALD process in a reactor scale is presented. Simulations are described by deposition of Al2O3 from trimethylaluminum and ozone as the metal and oxygen sources, respectively, and inert argon as the purge gas, inside viscous flow reactors. The simulations are performed for a fixed operating pressure of 10 Torr (1330 Pa) and two substrate temperatures at 250 °C and 300 °C. The flow inside the reactor is a continuum; therefore, the Navier-Stokes, energy and species transport equations are discretized through the finite volume method to simulate transient, laminar and reacting flows. The chemistry mechanism used includes both gas-phase and surface reactions. The accuracy of the numerical model is validated with the benchmark solutions. By using the presented numerical model, the ALD characteristics of Al2O3 at different reactor design parameters are investigated