Atomic Layer Deposition - Process Models and Metrologies

We report on the status of a combined experimental and modeling study for atomic layer deposition (ALD) of HfO2 and Al2O3. Hafnium oxide films were deposited from tetrakis(dimethylamino)hafnium and water. Aluminum oxide films from trimethyl aluminum and water are being studied through simulations. In this work, both in situ metrologies and process models are being developed. Optically-accessible ALD reactors have been constructed for in situ, high-sensitivity Raman and infrared absorption spectroscopic measurements to monitor gas phase and surface species. A numerical model using computational fluid dynamics codes has been developed to simulate the gas flow and temperature profiles in the experimental reactor. Detailed chemical kinetic models are being developed with assistance from quantum chemical calculations to explore reaction pathways and energetics. This chemistry is then incorporated into the overall reactor models