Magnetization reversal of perpendicular magnetic anisotropy regulated by ferroelectric polarization in CoFe<sub>3</sub>N/BaTiO<sub>3</sub> heterostructures: first-principles calculations

Li, Zi-Run; Chen, Bin; Shan, Shimin; Zhang, Yongmei

doi:10.1039/d3ra01842c

RSC Adv.

2023

DOI: 10.1039/d3ra01842c

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Magnetization reversal of perpendicular magnetic anisotropy regulated by ferroelectric polarization in CoFe₃N/BaTiO₃ heterostructures: first-principles calculations

Zi-Run Li

Bin Chen

Shimin Shan

et al.

Abstract: Ferroelectric polarization reverses the magnetic anisotropy of FeN–TiO2 and FeCo–BaO configurations, which is mainly due to the strong magnetoelectric coupling and orbital hybridization between the interfacial Fe/Co atoms and O atoms.

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2024

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Strain and ferroelectric polarization influence on perpendicular magnetic anisotropy of CoFe3N/BaTiO3 heterostructure

Li,

Zhang,

Wen

et al. 2024

Results in Physics

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Strain and ferroelectric polarization influence on perpendicular magnetic anisotropy of CoFe3N/BaTiO3 heterostructure

Li,

Zhang,

Wen

et al. 2024

Results in Physics

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Defect states in magnetically “seasoned” WSSe – adsorption and doping effects of magnetic transition metals X = V, Cr, Mn, Fe, Co – a comprehensive first-principles study

Gebredingle,

Kim,

Kim

2024

Sci Rep

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Besides the symmetry breaking of Janus transition metal dichalcogenides (TMDs), Janus-based Diluted Magnetic Semiconductors (DMS) are attractive to study considering the local symmetry of transition metal (TM) dopant/adatom. This study conducts a first-principles calculation of magnetic properties in TM (V, Cr, Mn, Fe, and Co) -- doped and adsorbed Janus WSSe. Our results reveal that TM’s atomic/ionic size impacts d-p-d orbital overlap, affecting bond length/angle and defect state positions. The result shows that V-doped WSSe exhibits long-range ferromagnetic order sustained by itinerant carriers and W atom spin-orbital coupling (SOC). The mechanism of d-p-d orbital hybridization is highlighted with an overlapping density of states and spin-density plots. Moreover, an enhanced magnetic anisotropy energy (MAE) is observed in Fe/Co-doped and Mn/Fe-adsorbed systems, with the easy axis aligning to the c -axis. The orbital contribution of MAE provided explains the relationship between states near the Fermi and MAE. On the other hand, the adsorption of V and Cr aligns the easy axis to the a-b plane, for which we have systematically explained the contribution of the spin-flip term in MAE. This research provides insights and a guideline for further exploration of 2D DMS for spintronics and spin-related phenomena. Supplementary Information The online version contains supplementary material available at 10.1038/s41598-024-77938-x.

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Magnetic-anisotropy modulation in multiferroic heterostructures by ferroelectric domains from first principles

Yatmeidhy,

Gohda

2024

Science and Technology of Advanced Materials

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First-principles calculations incorporating spin-orbit coupling are presented for a multiferroic material as a ferromagnetic/ferroelectric junction. We simulate the interface effect that cannot be described by the single-phase bulk. The in-plane uniaxial magnetic-anisotropy of Co 2 FeSi is observed when the ferroelectric domain is polarized parallel to the interface, whereas the magnetic anisotropy is significantly different in the plane for the electrical polarization perpendicular to the interface. While the single-phase effect dominates the main part of the modulation of the magnetic anisotropy, symmetry breaking due to the interfacial effect is observed in the ferromagnetic ultrathin films. The origin of the modulated magnetic-anisotropy can be attributed to the shifting of specific energy bands in Co 2 FeSi when the ferroelectric domain is modified.

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Magnetization reversal of perpendicular magnetic anisotropy regulated by ferroelectric polarization in CoFe₃N/BaTiO₃ heterostructures: first-principles calculations

Abstract: Ferroelectric polarization reverses the magnetic anisotropy of FeN–TiO2 and FeCo–BaO configurations, which is mainly due to the strong magnetoelectric coupling and orbital hybridization between the interfacial Fe/Co atoms and O atoms.

Cited by 3 publications

References 57 publications

Strain and ferroelectric polarization influence on perpendicular magnetic anisotropy of CoFe3N/BaTiO3 heterostructure

Strain and ferroelectric polarization influence on perpendicular magnetic anisotropy of CoFe3N/BaTiO3 heterostructure

Defect states in magnetically “seasoned” WSSe – adsorption and doping effects of magnetic transition metals X = V, Cr, Mn, Fe, Co – a comprehensive first-principles study

Magnetic-anisotropy modulation in multiferroic heterostructures by ferroelectric domains from first principles

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Magnetization reversal of perpendicular magnetic anisotropy regulated by ferroelectric polarization in CoFe3N/BaTiO3 heterostructures: first-principles calculations

Abstract: Ferroelectric polarization reverses the magnetic anisotropy of FeN–TiO2 and FeCo–BaO configurations, which is mainly due to the strong magnetoelectric coupling and orbital hybridization between the interfacial Fe/Co atoms and O atoms.

Cited by 3 publications

References 57 publications

Strain and ferroelectric polarization influence on perpendicular magnetic anisotropy of CoFe3N/BaTiO3 heterostructure

Strain and ferroelectric polarization influence on perpendicular magnetic anisotropy of CoFe3N/BaTiO3 heterostructure

Defect states in magnetically “seasoned” WSSe – adsorption and doping effects of magnetic transition metals X = V, Cr, Mn, Fe, Co – a comprehensive first-principles study

Magnetic-anisotropy modulation in multiferroic heterostructures by ferroelectric domains from first principles

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Product

Resources

About

Magnetization reversal of perpendicular magnetic anisotropy regulated by ferroelectric polarization in CoFe₃N/BaTiO₃ heterostructures: first-principles calculations