First‐Principles Exploration of Dirac Nodal Semimetallic Phases in Rhodium Chalcogenides

This article examines the electronic and topological properties of rhodium chalcogenides (RhX, where X = S, Se, Te), which demonstrate topological semimetallic behavior characterized by symmetry‐protected Dirac nodes near the Fermi level. Spin‐orbit coupling induces a small bandgap of about 100 meV without disrupting the bands' topological nature. The surface states of these systems reveal stable nodal line structures near the Fermi level, even in the presence of spin‐orbit coupling, confirming the existence of distinct topological phases in the material. Furthermore, all three RhX compounds demonstrate remarkably high intrinsic spin‐Hall conductivities: −1303 , −923 , and 1195.2 for RhS, RhSe, and RhTe, respectively, highlighting their potential for applications in topological electronics and low‐dissipation spintronic devices.