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Paper   IPM / Nano-Sciences / 8133
School of Nano Science
  Title:   Simulation of YBa2Cu3O7/MgO surface growth
  Author(s): 
1.  Mohammad Reza Mohammadizadeh
2.  N. Safari
3.  M. Kia
4.  H. Savaloni
  Status:   Published
  Journal: Physica Status Solidi c
  No.:  9
  Vol.:  3
  Year:  2006
  Pages:   3118-3121
  Publisher(s):   WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
  Supported by:  IPM
  Abstract:
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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