论文标题
单对III型Weyl点半米：Baniio $ _6 $举例
Single pair of type-III Weyl points half-metals: BaNiIO$_6$ as an example
论文作者
论文摘要
在拓扑物理学和自旋图中，具有最小非零的Weyl点（WPS）和全自旋极化的WEYL系统的实现仍然具有挑战性。在这项研究中，我们首次使用了第一原则计算和对称分析来证明Baniio $ _6 $是一种动态和热力学上稳定的半金属材料，托管具有充电数量的完全自旋的单对WPS（sp-wps）（$ \ cal {c} $），$ \ cal {c} $ appase $ \ pm pm pm $ 2和a type-在费米级别附近的频带分散。此外，完全自旋的SP-WPS在（10 $ \叠加{1} $ 0）的表面上诱导双螺旋式费米弧。半金属状态和自旋偏置的SP-WP具有稳定性到均匀的菌株（从-10 \％到+8 \％）和现场哈伯德 - 库仑相互作用（从0 eV到6 eV）。当将+9％或+10％均匀应变应用于baniio $ _6 $系统时，它将托管六个额外的类型 - \ uppercase \ ExpandAfter {\ romannumeral2} wps wps，带有$ \ lvert {\ cal {c}} \ cal {c}} \ rvert = 1 $，此外三维brillouin区域中type- \ uppercase \ ExpandAfter {\ romannumeral3} wps，带有$ \ lvert {\ cal {c}} \ rvert = 2 $。我们希望这项研究能够激发未来对SP-WPS半米的研究。
The realization of Weyl systems with the minimum nonzero number of Weyl points (WPs) and full spin polarization remains challenging in topology physics and spintronic. In this study, for the first time, we used first-principle calculations and symmetry analysis to demonstrate that BaNiIO$_6$, a dynamically and thermodynamically stable half-metallic material, hosts fully spin-polarized single-pair WPs (SP-WPs) with a charge number ($\cal{C}$) of $\pm$2 and a type-\uppercase\expandafter{\romannumeral3} band dispersion around the Fermi level. Moreover, the fully spin-polarized SP-WPs induce double-helicoid Fermi arcs on the (10$\overline{1}$0) surface. The half-metallic state and the spin-polarized SP-WPs are robust to uniform strains (from -10\% to +8\%) and on-site Hubbard-Coulomb interactions (from 0 eV to 6 eV). When +9 % or +10 % uniform strain is applied to the BaNiIO$_6$ system, it hosts six additional type-\uppercase\expandafter{\romannumeral2} WPs with $\lvert{\cal{C}}\rvert=1$ in the three-dimensional Brillouin zone in addition to the two type-\uppercase\expandafter{\romannumeral3} WPs with $\lvert{\cal{C}}\rvert=2$. We hope that this study will motivate future research into SP-WPs half-metals.
