“School of Nano-Sciences”
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| Paper IPM / Nano-Sciences / 8133 |
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For surface growth simulation of YBa2Cu3O7 on MgO substrate, binding energies between each two different Y, Ba, Cu, O, and Mg atoms were calculated by ab initio pseudopotential density functional theory approach. Then, simulation of YBa2Cu3O7 growth was performed by a simple two dimensional model based on the ballistic aggregation of hard discs. By increasing the substrate temperature, the atomic layers distribution is more condensed and the nanometric surface roughness decreases.
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