Spin-dependent transport in Fe3GaTe2 and FenGeTe2 (n=3-5) van der Waals ferromagnets for magnetic tunnel junctions

Abstract

We present a systematic first-principles investigation of linear-response spin-dependent quantum transport in the van der Waals ferromagnets Fe3GeTe2, Fe4GeTe2, Fe5GeTe2, and Fe3GaTe2. Using density functional theory combined with the non-equilibrium Green's function formalism, we compute their Fermi surfaces, transmission coefficients, and orbital-projected density of states. All compounds exhibit nearly half-metallic conductance along the out-of-plane direction. This is characterized by a finite transmission coefficient for one spin channel and a gap in the other, resulting in spin polarization values exceeding 90\% in the bulk. Notably, Fe3GaTe2 displays the ideal half-metallic behavior, with the Fermi energy located deep in the spin-down transmission gap. We further show that this high spin polarization is preserved in bilayer magnetic tunnel junctions, which exhibit a large tunnel magnetoresistance of the order of several hundred percent. This findings underscore the promise of these materials, and in particular of Fe3GaTe2, for spintronics applications.

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