P6322-type SrNiIO6: An ideal half-metallic candidate with a fully spin-polarized Weyl complex

Abstract

Researchers are interested in magnetic topological materials because they can integrate magnetic and topological properties. Using the first-principles calculations, we identify the P6322-type SrNiIO6 as a dynamically stable half-metallic candidate with a completely spin-polarized Weyl complex formed by two hourglass charge-3 and six charge-1 Weyl points. Furthermore, distinct surface arcs linked the projections of two spin-polarized charge-3 Weyl points and six spin-polarized charge-1 Weyl points, resulting in a fully spin-polarized sextuple-helicoid surface arc mode on the (001) surface of P6322-type SrNiIO6. P6322-type SrNiIO6 with fully spin-polarized charge-3 and charge-1 Weyl points and a fully spin-polarized sextuple-helicoid surface arc mode is, without a doubt, a promising candidate for applications in spintronic and topological physics.

Keywords

• Half-metal
• Fully spin-polarized Weyl complex
• Charge-3 Weyl point
• Spin-polarized sextuple-helicoid surface arcs
• First-principle calculations