Abstract

An epitaxial growth mechanism of oxide superconductor films has been investigated by using computer graphics for the combination of orthorhombic Ba2YCu3O7-x with substrate crystals of SrTiO3, MgO, and ZrO2. The (001) plane of Ba2YCu3O7-x has been shown to fit well the (100) plane of these substrate crystals. A crystallographic fit has also been demonstrated between the (110) plane of Ba2YCu3O7-x and the (110) plane of SrTiO3. Detailed investigation of atomic arrangements has indicated some differences in the ionic interaction at the superconductor-substrate interface among SrTiO3, MgO, and ZrO2 substrates. For the combination of the (001) plane of Ba2YCu3O7-x and the (100) plane of SrTiO3, various layers of Ba2YCu3O7-x and SrTiO3 are possible to provide arrangements of ions which stabilize the electrostatic interaction at the interface. Although the Ba-O layer of Ba2YCu3O7-x does not provide such a stable interaction with the MgO (100) plane, the Cu-O layer of Ba2YCu3O7-x can favorably interact with the MgO (100) plane. As for ZrO2 (100) plane, ionic arrangements at the oxide layer is favorable only for the interaction with Y3+ layer of Ba2YCu3O7-x while the Zr-O layer of ZrO2 can interact with both Ba-O layer and Cu-O layer of Ba2YCu3O7-x.

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