L. 'interface, été construite en plaçant les 3 premières mono-couches de tungstène sur les sites des atomes d'hafnium, la tranche métallique de tungstène dans l'orientation [1 ¯ 10] est superposée en respectant la distance des liaisons de covalence Cette structure a été relaxée une première fois, le potentiel moyen de l'empilement n'étant pas plat, une tranche de tungstène dans l'orientation [1 ¯ 10] a été ajoutée à celle préexistante

E. Le, FF') a été construit en s'inspirant des simulations de dépôt en dynamique moléculaire de Fabien Fontaine-Vive au CEA/Léti. La densité atomique est obtenue dès les premières mono-couches de tungstène [33]. Dans ses simulations la structure de la première couche de tungstène se propage à toute la couche métallique, 2012.

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