Skip to main content
Article thumbnail
Location of Repository

Elementary Processes During the Epitaxial Growth of Metal Oxides: MgO/MgO(001)

By G. Geneste, J. Morillo, Fabio Finocchi and M. Hayoun


Elementary processes governing the epitaxial growth of metal oxides, like adsorption and diffusion, have been studied theoretically in the prototypical case of MgO/MgO(001). Most of these processes need to be investigated in an ab initio approach since they are usually accompanied by strong modifications of the electronic structure. This study has been carried out within the density functional theory, and complemented by molecular dynamics simulations using a rigid-ion potential. The growth of the oxide passes through several oxido-reduction reactions at the surface. The adsorption and the diffusion of Mg and O are strongly different from each other, and change considerably at steps from flat terraces. All these results point out the need of realistic models for the growth of metal oxides that take into account the chemical behaviour of the involved species as well as the influence of the defects

Publisher: HAL CCSD
Year: 2003
OAI identifier: oai:HAL:hal-00004511v1
Provided by: Hal-Diderot
Download PDF:
Sorry, we are unable to provide the full text but you may find it at the following location(s):
  • https://hal.archives-ouvertes.... (external link)
  • https://hal.archives-ouvertes.... (external link)
  • https://hal.archives-ouvertes.... (external link)
  • Suggested articles

    To submit an update or takedown request for this paper, please submit an Update/Correction/Removal Request.