Half-metallic TiF3: a potential anode material for Li-ion spin batteries

Abstract

As a key component of spintronic devices, spin batteries that can generate spin-polarized current are drawing increasing interests. Herein, we propose a simple strategy for spin batteries by introducing a half-metallic anode material in the conventional Li-ion batteries. Using first-principles calculations, we demonstrate a potential half-metallic anode material, TiF₃ crystal, which has stable ferromagnetism and half-metallicity under Li insertion. Low Li diffusion barriers (0.16–0.37 eV) and moderate Li storage capacity (256 mA h g⁻¹) are revealed in the TiF₃ crystal. The combination of half-metals and Li-ion battery offers a new solution for spin batteries.