Fully spin-polarized hourglass charge-three Weyl points and sextuple-helicoid surface arcs in P6322 -type BaNiIO6

Publication Name

Physical Review B


Magnetic topological materials exhibiting unique topological quantum physics due to the combination of spintronics and topology have aroused the interest of researchers. We propose P6322-type BaNiIO6 - a dynamically stable material with two fully spin-polarized hourglass charge-three (C-3) Weyl points (WPs) and six fully spin-polarized charge-one (C-1) WPs around the Fermi level - with the help of first-principles calculations and symmetry analysis. C-3 WPs have been theoretically proposed for more than a decade. However, they have only been reported in nonmagnetic phonon systems rather than in magnetic electronic systems. P6322-type BaNiIO6 shows 100% spin polarization and belongs to the group of half-metals due to the metallic states and the semiconducting states for the bands in spin-up and spin-down directions, respectively. The half-metallic state and the spin-polarized C-3 and C-1 WPs are robust to uniform strains (from -5 to 5%) and on-site Hubbard-Coulomb interactions (from 0 to 6 eV). Furthermore, unique surface arcs connected the projections of two spin-polarized C-3 WPs and six spin-polarized C-1 WPs, leading to fully spin-polarized sextuple-helicoid surface arcs on the (001) surface of P6322-type BaNiIO6. Undoubtedly, P6322-type BaNiIO6, with fully spin-polarized C-3 and C-1 WPs and fully spin-polarized sextuple-helicoid surface arcs, is a promising candidate for applications in spintronic and topological physics.

Open Access Status

This publication is not available as open access





Article Number


Funding Number


Funding Sponsor

Natural Science Foundation of Chongqing Municipality



Link to publisher version (DOI)