paper

From Trivial Kondo Insulator Ce $_{3}$ Pt $_{3}$ Bi $_{4}$ to Topological Nodal-line Semimetal Ce $_{3}$ Pd $_{3}$ Bi $_{4}$

arXiv:1904.00675 · doi:10.1103/PhysRevLett.124.166403

Abstract

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 Ce $_{3}$ Pt $_{3}$ Bi $_{4}$ and Ce $_{3}$ Pd $_{3}$ Bi $_{4}$ . At high temperatures ( $\sim$ 290K), the electronic structures of both compounds resemble the open-core 4 $f$ density functional calculation results. For Ce $_{3}$ Pt $_{3}$ Bi $_{4}$ , clear hybridization gap can be observed below 72K, and its coherent momentum-resolved spectral function below 18K exhibits an topologically trivial indirect gap of $\sim$ 6 meV and resembles density functional band structure with itinerant 4 $f$ state. For Ce $_{3}$ Pd $_{3}$ Bi $_{4}$ , no clear hybridization gap can be observed down to 4K, and its momentum-resolved spectral function resembles electron-doped open-core 4 $f$ density functional calculations. The band nodal points of Ce $_{3}$ Pd $_{3}$ Bi $_{4}$ at 4K are protected by the gliding-mirror symmetry and form ring-like structure. Therefore, the Ce $_{3}$ Pt $_{3}$ Bi $_{4}$ compound is topologically trivial Kondo insulator while the Ce $_{3}$ Pd $_{3}$ Bi $_{4}$ compound is topological nodal-line semimetal.

To appear in Physical Review Letters. Figure resolution in Supplementary Information is substantially reduced to conform with the submission size restriction

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

Abstract

From Trivial Kondo Insulator Ce $_{3}$ Pt $_{3}$ Bi $_{4}$ to Topological Nodal-line Semimetal Ce $_{3}$ Pd $_{3}$ Bi $_{4}$