Magnetism without magnetic impurities in oxides ZrO2 and TiO2
Résumé
We apply the density functional technique to investigate the magnetism induced in transition metal dioxides ZrO2 and TiO2 by substitution of the cation by a vacancy or an impurity from the groups 1A or 2A of the periodic table, where the impurity is either K or Ca. It is demonstrated that the vacancy and the K-impurity leads to a robust induced magnetic moment on the surrounding O-atoms for both the cubic ZrO2 and rutile TiO2 host crystals. The native O-vacancy does not induce a magnetic moment in the host dioxide crystal.
Domaines
Physique Générale [physics.gen-ph]
Origine : Fichiers produits par l'(les) auteur(s)
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