Threefold Fermions, Weyl Points, and Superconductivity in the Mirror Symmetry Lacking Semiconductor TlCd2Te4

The topological phase transition and exotic quasiparticles in materials have attracted much attention because of their potential in spintronics and mimic of elementary particles. Especially, great research interest has been paid to search for the Weyl fermions in solid-state physics. By using first-principles calculations, we predict that the multinary semiconductor alloy TlCd2Te4 exhibits threefold fermions and nodal-line fermions, which are protected by the S-4 improper rotational symmetry. Moreover, owing to the lack of inversion and mirror symmetries, the threefold fermions split into Weyl fermions when the spin-orbit coupling is included. The chiral charge of Weyl points and the Z2 time-reversal topological invariant are investigated. The topological surface states, spin texture, and electron-phonon coupling analysis are presented. Our study demonstrates TlCd2Te4 as a good platform to understand topological phase transitions as well as possible coexistance of topological Weyl semimetal and superconductivity in one single material.