Abstract
Highly spin-polarized ferromagnetic materials are essential for efficient spintronic devices. Here, 100% spin-polarized compounds Rb(2)TaZ(6)(Z = Cl, Br) studied via density functional theory are reported. These compounds show stability in the ferromagnetic phase with cubic symmetry and half metallic behavior, thereby exhibiting a nonzero direct band gap in the spin-down channel and zero band gap in the spin-up configuration. The Ta-dsates contribute mainly to the net magnetic moments as explained by the crystal field theory and density of states. High Curie temperatures of 960.35 and 1021.74 K for Ra(2)TaCl(6)and Rb2TaBr6, along with maximum spin polarizability, make these compounds favorable for efficient spintronic applications.