Nodal points, lines, and surfaces, and topological surface states in superconductor NiBi3

Despite the numerous reports on the time-honored superconductor NiBi${}_{3}$, theoretical investigations remain limited. By using first-principles calculations, the authors select here multiple pairs of bands to show its topological structure, including nodal points, lines, and surfaces and topological surface states. The authors also demonstrate that the superconductivity of NiBi${}_{3}$ originates from the $p$ orbitals of Bi and $d$ orbitals of Ni coupling with the Bi vibration. Thus, NiBi${}_{3}$ holds significant potential for realization of topological superconductivity and other exotic phenomena.