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arXiv · 2509.06823

Spin-dependent transport in Fe${_3}$GaTe${_2}$ and Fe${_n}$GeTe${_2}$ ($n$=3-5) van der Waals ferromagnets for magnetic tunnel junctions

Anita Halder·Declan Nell·Akash Bajaj·Stefano Sanvito·Andrea Droghetti
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Abstract

We present a systematic first-principles investigation of linear-response spin-dependent quantum transport in the van der Waals ferromagnets Fe$_3$GeTe$_2$, Fe$_4$GeTe$_2$, Fe$_5$GeTe$_2$, and Fe$_3$GaTe$_2$. 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, Fe$_3$GaTe$_2$ 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 Fe$_3$GaTe$_2$, for spintronics applications.

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Anita Halder, Declan Nell, Akash Bajaj, Stefano Sanvito, Andrea Droghetti. 2025-09-08. Spin-dependent transport in Fe${_3}$GaTe${_2}$ and Fe${_n}$GeTe${_2}$ ($n$=3-5) van der Waals ferromagnets for magnetic tunnel junctions. https://arxiv.org/abs/2509.06823

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