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arXiv · 1904.00675

From Trivial Kondo Insulator Ce$_3$Pt$_3$Bi$_4$ to Topological Nodal-line Semimetal Ce$_3$Pd$_3$Bi$_4$

Chao Cao·Guo-Xiang Zhi·Jian-Xin Zhu
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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.

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Chao Cao, Guo-Xiang Zhi, Jian-Xin Zhu. 2020-04-04. From Trivial Kondo Insulator Ce$_3$Pt$_3$Bi$_4$ to Topological Nodal-line Semimetal Ce$_3$Pd$_3$Bi$_4$. https://doi.org/10.1103/physrevlett.124.166403

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