标题： 由受阻 Wannier 电荷引起的关联 Mott NiS₂ 中的一维导电通道 显示英文标题

标题： One-dimensional conduction channels in the correlated Mott NiS2 arising from obstructed Wannier charges

摘要： NiS₂，一种以其黄铁矿结构为特征的化合物，独特地连接了强关联物理和拓扑学领域。尽管块状NiS₂被知为Mott或电荷转移绝缘体，但其表面显示出异常的金属行为和有限的导电性。 利用高分辨率中子散射数据和对称性分析，我们通过引入一个新的基态模型，提出了对NiS₂磁相的精炼描述。结合高分辨率扫描隧道显微镜和光谱（STM/STS），我们在Ni和S终止的表面上揭示了边缘态的存在，这些边缘态表现出对外部磁场的显著抗性。 虽然这两种类型的边缘态表现出相似的性质，但只有Ni终止的边缘态占据费米能级附近，并因此对表面导电性作出贡献。 利用从头算方法结合拓扑量子化学分析，我们将这些边缘态归因于起源于块体拓扑的受阻原子电荷。总体而言，这项工作不仅加深了我们对NiS₂的理解，也为进一步探索关联材料中一维台阶边缘态与Wannier阻塞之间的相互作用奠定了坚实的经验和理论基础。 显示英文摘要

摘要： NiS2, a compound characterized by its pyrite structure, uniquely bridges the realms of strong correlation physics and topology. While bulk NiS2 is known to be a Mott or charge-transfer insulator, its surface displays anomalous metallic behavior and finite conductivity. Using high-resolution neutron scattering data and symmetry analysis, we propose a refined description of NiS2's magnetic phases by introducing a novel model for its ground state. Combined with high-resolution scanning tunneling microscopy and spectroscopy (STM/STS), we unveil the presence of edge states in both Ni- and S-terminated surfaces, which exhibit remarkable resilience to external magnetic fields. Although both types of edge states exhibit similar properties, only the edge states at the Ni termination populate the vicinity of the Fermi level and, therefore contribute to the surface conductivity. Utilizing ab initio methods combined with a topological quantum chemistry analysis, we attribute these edge states to obstructed atomic charges originating from bulk topology. Overall, this work not only deepens our understanding of NiS2 but also lays a robust experimental and theoretical foundation for further exploration of the interplay between one-dimensional step-edge states and the Wannier obstruction in correlated materials.