Palladium (III) Fluoride Bulk and PdF 3 /Ga 2 O 3 /PdF 3 Magnetic Tunnel Junction: Multiple Spin-Gapless Semiconducting, Perfect Spin Filtering, and High Tunnel Magnetoresistance

摘要

Spin-gapless semiconductors (SGSs) with Dirac-like band crossings may exhibit massless fermions and dissipationless transport properties. In this study, by applying the density functional theory, novel multiple linear-type spin-gapless semiconducting band structures were found in a synthesized R 3 ? c -type bulk PdF 3 compound, which has potential applications in ultra-fast and ultra-low power spintronic devices. The effects of spin-orbit coupling and on-site Coulomb interaction were determined for the bulk material in this study. To explore the potential applications in spintronic devices, we also performed first-principles combined with the non-equilibrium Green’s function for the PdF 3 /Ga 2 O 3 /PdF 3 magnetic tunnel junction (MTJ). The results suggested that this MTJ exhibits perfect spin filtering and high tunnel magnetoresistance (~5.04 × 10 7 ).