From Trivial Kondo Insulator Ce3 Pt3 Bi4 to Topological Nodal-Line Semimetal Ce3 Pd3 Bi4

Using the density functional theory combined with dynamical mean-field theory, we have performed systematic study of the electronic structure and its band topology properties of Ce₃ Pt₃ Bi₄ and Ce₃ Pd₃ Bi₄ . At high temperatures (∼290 K ), the electronic structures of both compounds resemble the open-core 4 f density functional calculation results. For Ce₃ Pt₃ Bi₄ , clear hybridization gap can be observed below 72 K, and its coherent momentum-resolved spectral function below 18 K exhibits an topologically trivial indirect gap of ∼6 meV and resembles density functional band structure with itinerant 4 f state. For Ce₃ Pd₃ Bi₄ , no clear hybridization gap can be observed down to 4 K, and its momentum-resolved spectral function resembles electron-doped open-core 4 f density functional calculations. The band nodal points of Ce₃ Pd₃ Bi₄ at 4 K are protected by the gliding-mirror symmetry and form ringlike structure. Therefore, the Ce₃ Pt₃ Bi₄ compound is topologically trivial Kondo insulator while the Ce₃ Pd₃ Bi₄ compound is topological nodal-line semimetal.