Exploring Nontrivial Topology and Spin Hall Conductivity in NaCdBi

Departing from conventional band theory, topological materials are classified by topological invariants, a fundamental property that reliably ensures the presence of robust boundary states. This intrinsic characteristic renders their surface electrons immune to disorder‐induced localization. We delve into the theoretical underpinnings of this topological protection in NaCdBi. Our first‐principles calculations reveal Pnma NaCdBi as a potential topological material (TM) exhibiting a distinct Dirac‐like crossing point at the surface along the ‐X path. Furthermore, the value of its topological invariant quantity suggests it to be a non‐trivial strong topological material. We point out that NaCdBi shows an anisotropic Spin Hall Conductivity (SHC) with the largest component reaching approximately −502 S/cm. The findings from our work contribute to understanding the emergence of considerable spin Hall effects in this compound. Anisotropic spin Hall conductivity enables directional control of spin currents, offering a pathway to tunable spintronic devices. In anisotropic magneto‐optical materials, this spin manipulation can, in turn, modulate light and control polarization, opening new avenues for photonic applications.