Half-Metallic Transport and Spin-Polarized Tunneling through the van der Waals Ferromagnet Fe4GeTe2

Nano Lett. 2024 Jul 31;24(30):9221-9228. doi: 10.1021/acs.nanolett.4c01479. Epub 2024 Jul 22.

Abstract

We examine the coherent spin-dependent transport properties of the van der Waals (vdW) ferromagnet Fe4GeTe2 using density functional theory combined with the nonequilibrium Green's function method. Our findings reveal that the conductance perpendicular to the layers is half-metallic, meaning that it is almost entirely spin-polarized. This property persists from the bulk to a single layer, even under significant bias voltages and with spin-orbit coupling. Additionally, using dynamical mean field theory for quantum transport, we demonstrate that electron correlations are important for magnetic properties but minimally impact the conductance, preserving almost perfect spin-polarization. Motivated by these results, we then study the tunnel magnetoresistance (TMR) in a magnetic tunnel junction consisting of two Fe4GeTe2 layers with the vdW gap acting as an insulating barrier. We predict a TMR ratio of ∼500%, which can be further enhanced by increasing the number of Fe4GeTe2 layers in the junction.

Keywords: Density functional theory; Nonequilibrium Green’s functions; Spin transport; Tunnel magnetoresistance; van der Waals magnetic materials.