Pressure-induced concomitant topological and metal-insulator quantum phase transitions in Ce$_3$Pd$_3$Bi$_4$

TL;DR

This study investigates pressure-induced quantum phase transitions in Ce$_3$Pd$_3$Bi$_4$, revealing a transition from a correlated semimetal to a Kondo insulator and a topological change at a quantum critical point.

Contribution

It provides a comprehensive theoretical analysis of how pressure influences electronic, magnetic, and topological properties in Ce$_3$Pd$_3$Bi$_4$, identifying a quantum critical point with topological implications.

Findings

Transition from correlated semimetal to Kondo insulator under pressure

Vanishing characteristic temperatures indicating quantum criticality

Topological transition from trivial to non-trivial insulator

Abstract

The electronic property and magnetic susceptibility of Ce$_3$Pd$_3$Bi$_4$ were systemically investigated from 18 K to 290 K for varying values of cell-volume using dynamic mean-field theory coupled with density functional theory. By extrapolating to zero temperature, the ground state of Ce$_3$Pd$_3$Bi$_4$ at ambient pressure is found to be a correlated semimetal due to insufficient hybridization. Upon applying pressure, the hybridization strength increases and a crossover to Kondo insulator is observed at finite temperatures. The characteristic temperature signaling the formation of Kondo singlet, as well as the characteristic temperature associated with $f$-electron delocalization-localization change, simultaneously vanishes around a critical volume of 0.992$V_0$, suggesting that such metal-insulator transition is possibly associated with a quantum critical point. Finally, the Wilson's loop calculations indicate that the Kondo insulating side is topologically trivial, thus a topological transition also occurs across the quantum critical point.