Mémoires de Fin d’Etudes
Etablissement
Université de Batna 1 - Hadj Lakhder
Affiliation
Département de Physique
Auteur
OUAHAB, Abdelouahab
Directeur de thèse
Tidjani, Mohamed Elkhamis (Docteur)
Filière
Physique
Diplôme
Doctorat
Titre
Etude théorique et simulation d’une interface métal - oxyde
Mots clés
Interfaces (sciences physiques); Méthodes ab initio (chimie quantique)
Résumé
We have presented a theoretical multiscale study of the interface Ag/MgO and Ag/YBCO. By mean of first principles calculations we have calculated some of structural properties and of the separated metal and oxide and of the interface formed between them in each case of the two interfaces. The calculated properties was then between them in each case of the two interfaces. The calculated properties was then used to construct models of the two Ag/MgO(001) and Ag/YBCO(001) interfaces which were then studied by mean of molecular dynamics. The obtained results showed that the majority of our results with experimental and theoretical available data of these two systems. This achievement allow us to use the above calculations to predict the structure of complex interfaces between materials in order to get more control of their different properties
Date de soutenance
2006
Cote
TH1.4734
Pagination
127 p.
Format
30 cm.
Notes
Statut
Traitée