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Elementary processes during the epitaxial growth of metal oxides: MgO/MgO(001).

Published online by Cambridge University Press:  01 February 2011

Gregory Geneste ,
Joseph Morillo ,
Fabio Finocchi  and
Marc Hayoun
Gregory Geneste
Affiliation:
Centre d'Élaboration de Matériaux et d'Études Structurales, UPR CNRS 8011, 29 rue Jeanne Marvig, 31055 Toulouse Cedex 4, France
Joseph Morillo
Affiliation:
Centre d'Élaboration de Matériaux et d'Études Structurales, UPR CNRS 8011, 29 rue Jeanne Marvig, 31055 Toulouse Cedex 4, France
Fabio Finocchi
Affiliation:
Groupe de Physique des Solides, Universités Paris 6 – 7 and UMR CNRS 7582, Campus de Boucicaut, 140 rue de Lourmel, 75015 Paris, France
Marc Hayoun
Affiliation:
Laboratoire des Solides Irradiés, CEA - CNRS UMR 7642, École Polytechnique, 91128, Palaiseau Cedex, France
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Abstract

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.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 786: Symposium E – Fundamentals of Novel Oxide/Semiconductor Interfaces , 2003 , E6.7
Copyright
Copyright © Materials Research Society 2004

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References

REFERENCES

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