Magnetoelectric coupling at the NiFe2O4/PZT (001) interface: A density functional theory investigation - Archive ouverte HAL Accéder directement au contenu
Article Dans Une Revue Superlattices and Microstructures Année : 2020

Magnetoelectric coupling at the NiFe2O4/PZT (001) interface: A density functional theory investigation

(1) , (1) , (2) , (2) , (3) , (3) , (1)
1
2
3

Résumé

Magnetoelectric (ME) coupling at the Ferrimagnetic/Ferroelectric NiFe2O4/PbZr0.5Ti0.5O3(001) (NFO/PZT) heterostructure have been investigated using first-principles within density-functional theory in the framework of GGA + U. The (Zr0.5Ti0.5)O-2-terminated and PbO-terminated PZT surfaces are considered at the NiFe2O4/PZT interface (NFO/ZTO and NFO/PbO). Based on the interfacial separation work; our first-principle calculations predict that the (Zr0.5Ti0.5)O-2-terminated PZT surfaces is energetically more favorable than the PbO-terminated PZT surfaces at the NiFe2O4/PZT interface. Moreover, it is found that the magnetoelectric coupling in this system arises from the interface bonding and the electronic origin of the large magnetoelectric coupling at NFO/ZTO interface is due to the hybridizations of orbitals of interface Ni, Fe, T, Zr, O atoms. In addition, the maximum magnetoelectric coefficient of alpha = 3.15 x 10(-10) G.cm/V has been achieved for (Zr0.5Ti0.5)O-2-terminated PZT surfaces in NiFe2O4/PZT interface.
Fichier non déposé

Dates et versions

hal-03627380 , version 1 (01-04-2022)

Identifiants

Citer

M. Ait Tamerd, B. Abraime, A. Lahmar, M. El Marssi, M. Hamedoun, et al.. Magnetoelectric coupling at the NiFe2O4/PZT (001) interface: A density functional theory investigation. Superlattices and Microstructures, 2020, 139, ⟨10.1016/j.spmi.2020.106401⟩. ⟨hal-03627380⟩
2 Consultations
0 Téléchargements

Altmetric

Partager

Gmail Facebook Twitter LinkedIn More