Giant anomalous transverse transport properties of Co-doped two-dimensional Fe<sub>3</sub>GaTe<sub>2</sub>

doi:10.1007/s11467-024-1424-5

Front. Phys.

2024, Vol. 19

Issue (6) : 63206 https://doi.org/10.1007/s11467-024-1424-5

Giant anomalous transverse transport properties of Co-doped two-dimensional Fe₃GaTe₂

Imran Khan, Jisang Hong(

)

Department of Physics, Pukyong National University, Busan 48513, Republic of Korea

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Abstract

In spintronics, transverse anomalous transport properties have emerged as a highly promising avenue surpassing the conventional longitudinal transport behaviors. Here, we explore the transverse transport properties of monolayer and bilayer Fe_3−xCo_xGaTe₂ (x = 0.083, 0.167, 0.250, and 0.330) systems. All the systems exhibit ferromagnetic ground states with metallic features and also have perpendicular magnetic anisotropy. Besides, the magnetic anisotropy is substantially enhanced with increasing Co-doping concentration. However, unlike magnetic anisotropy, the Curie temperature is suppressed by increasing the Co-doping concentration. For instance, the monolayer and bilayer Fe_2.917Co_0.083GaTe₂ hold a Curie temperature of 253 K and 269 K, which decreases to 163 K and 173 K in monolayer and bilayer Fe_2.67Co_0.33GaTe₂ systems, respectively. We find a giant anomalous Nernst conductivity (ANC) of 6.03 A/(K·m) in the monolayer Fe_2.917Co_0.083GaTe₂ at −30 meV, and this is further enhanced to 11.30 A/(K·m) in the bilayer Fe_2.917Co_0.083GaTe₂ at −20 meV. Moreover, the bilayer Fe_2.917Co_0.083GaTe₂ structure has a large anomalous thermal Hall conductivity (ATHC) of −0.14 W/(K·m) at 100 K. Overall, we find that the Fe_3−xCo_xGaTe₂ (x = 0.083, 0.167, 0.250, and 0.330) structures have better anomalous transverse transport performance than the pristine Fe₃GaTe₂ system and can be used for potential spintronics and spin caloritronics applications.

Keywords two-dimensional (2D) material Fe₃GaTe₂ ferromagnetism magnetic anisotropy Curie temperature anomalous Hall conductivity anomalous Nernst conductivity anomalous thermal Hall conductivity

Corresponding Author(s): Jisang Hong

Issue Date: 16 July 2024

Cite this article:

Imran Khan,Jisang Hong. Giant anomalous transverse transport properties of Co-doped two-dimensional Fe₃GaTe₂[J]. Front. Phys. , 2024, 19(6): 63206.

URL:

https://academic.hep.com.cn/fop/EN/10.1007/s11467-024-1424-5
https://academic.hep.com.cn/fop/EN/Y2024/V19/I6/63206

Fig.1 Crystal structures (a) top view of the monolayer Fe_2.917Co_0.083GaTe₂, (b) side view of the monolayer Fe_2.917Co_0.083GaTe₂, (c) side view of the monolayer Fe_2.833Co_0.167GaTe₂, (d) side view of the monolayer Fe_2.75Co_0.25GaTe₂, (e) side view of the monolayer Fe_2.67Co_0.33GaTe₂, (f) AA stacking in the bilayer Fe_2.917Co_0.083GaTe₂, (g) AB stacking in the bilayer Fe_2.917Co_0.083GaTe₂, (h) AA stacking in the bilayer Fe_2.833Co_0.167GaTe₂, (i) AB stacking in the bilayer Fe_2.833Co_0.167GaTe₂, (j) AA stacking in the bilayer Fe_2.75Co_0.25GaTe₂, (k) AB stacking in the bilayer Fe_2.75Co_0.25GaTe₂, (l) AA stacking in the bilayer Fe_2.67Co_0.33GaTe₂, and (m) AB stacking in the bilayer Fe_2.67Co_0.33GaTe₂.

Tab.1 Lattice constants of monolayer and bilayer Fe_3−xCo_xGaTe₂ (x = 0.083, 0.167, 0.250, and 0.330) along with interlayer distance (d) in the bilayer. The formation energy (E_F) of monolayer and exchange energy (ΔE_ex) of monolayer and bilayer.

Tab.2 Exchange parameter (J) in meV monolayer Fe_2.917Co_0.083GaTe₂.

Tab.3 Exchange parameter (J) in meV for bilayer Fe_2.917Co_0.083GaTe₂.

Fig.2 Spin-projected band structures including spin−orbit coupling (a) monolayer Fe_2.917Co_0.083GaTe₂, (b) bilayer Fe_2.917Co_0.083GaTe₂.

Tab.4 Magnetocrystalline anisotropy (in meV/atom) and Curie temperatures of monolayer and bilayer.

Fig.3 Orbital resolved MAE of monolayer Fe_2.917Co_0.083GaTe₂ (a) Te atom, (b) Fe-top atom, (c) Fe-center atom, (d) Co atom.

Fig.4 Temperature-dependent magnetization curves for (a) monolayer Fe_2.917Co_0.083GaTe₂, (b) monolayer Fe_2.833Co_0.167GaTe₂, (c) monolayer Fe_2.75Co_0.25GaTe₂, (d) monolayer Fe_2.67Co_0.33GaTe₂, (e) bilayer Fe_2.917Co_0.083GaTe₂, (f) bilayer Fe_2.833Co_0.167GaTe₂, (g) bilayer Fe_2.75Co_0.25GaTe₂, (h) bilayer Fe_2.67Co_0.33GaTe₂.

Fig.5 Thickness-dependent (a, b) anomalous Hall conductivity as a function of chemical potential for monolayer and bilayer Fe_3−xCo_xGaTe₂ systems, (c, d) anomalous Nernest conductivity as a function of chemical potential for monolayer and bilayer Fe_3−xCo_xGaTe₂ systems, and (e, f) anomalous thermal Hall conductivity as a function of chemical potential for monolayer and bilayer Fe_3−xCo_xGaTe₂ systems.

Fig.6 Berry curvature along high symmetry lines for (a) monolayer Fe_2.75Co_0.25GaTe₂ at zero chemical potential, (b) bilayer Fe_2.917Co_0.083GaTe₂ at zero chemical potential, (c) monolayer Fe_2.75Co_0.25GaTe₂ at −40 meV and (d) bilayer Fe_2.917Co_0.083GaTe₂ at −10 meV.

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