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Deposition of Metal-Oxide Thin Films

      Thin film deposition of SrTiO3 is currently a popular area of research due to its widespread use in electronic applications and the motivation to shrink electronic components. Pulsed laser deposition (PLD) is an effective deposition process yielding dense, homogeneous thin films. Here, classical molecular dynamics simulations are used to determine the mechanisms involved in PLD. The simulations show that collisions that occur between the incident particles and the substrate can induce chemical reactions. The simulations consider the deposition of SrO and TiO2 molecules with a kinetic energy between 0.1 and 1 eV/atom on a (001) surface of SrTiO3. The effects of impact energy, orientation of incident particles, and surface termination layer (SrO vs. TiO2) are examined. The main surface phenomenon of interest is chemical changes that occur at the oxide surface due to the ablating particles. We will also be investigating the types of collisions that occur between different sized metal/oxide clusters and the substrate. As plume materials in a PVD process travel to the substrate, they react to lower their free energy. These reactions often result in oxides, such as SrO and TiO2. They can also result in metallic or oxide 'clusters' of several atoms. These clusters, which can sometimes consist of around 20 atoms, form in regular geometrical shapes. These shapes and the resulting properties of the clusters can be quite different from bulk properties. For example, Sr13 forms an icosohedral shape with five-fold symmetry. Not much is known experimentally about the impact these clusters have on thin film growth. We will model these clusters in our simulations to try to determine these effects.



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Last Update: Wednesday, April 27, 2005



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