Structural, electronic and magnetic properties of Co-substituted SrFe12O19: A DFT study. (September 2021)

• Record Type: Journal Article
• Authors: Lamouri, R.; Daoudi, K.; Absike, H.; Mounkachi, O.; Salmani, E.; Hamedoun, M.; Benyoussef, A.; Ez-Zahraouy, H.
• Is Part Of: Materials today communications. Volume 28(2021)
• Publication Date: 2021-09
• Subjects: Strontium hexaferrite -- Electronic and magnetic properties -- Density functional theory -- Spintronic application; Materials science -- Periodicals; 620.11
• DOI: 10.1016/j.mtcomm.2021.102589
• Languages: English
• ISSNs: 2352-4928

Abstract

Abstract: The electronic and magnetic properties of M-type strontium hexaferrite are investigated using first-principles density functional theory for both the pure state (SrFe12 O19 ) and Co-substituted SrFe12 O19 (Co0.5 Sr0.5 Fe12 O19 ). The obtained substitution energy of Co0.5 Sr0.5 Fe12 O19 proved the possibility of this substitution. The calculated densities of states (DOS) of pure SrFe12 O19 hexaferrite showed a hard magnetic semiconductor behavior with a total magnetic moment of about 40.03 µB . Furthermore, a clear change of the magnetic behavior is observed while substituting SrFe12 O19 with Cobalt element, where a polarization at Fermi level is obtained, which characterize the half-metallic materials with an enhancement of the total magnetic moment. Our obtained results could pave the way to further experimental and theoretical investigations on the spintronic applications of M-type strontium hexaferrite.