Topological Phase Transition in an Archetypal f-electron Correlated System: Ce

Abstract

A typical f-electron Kondo lattice system Ce exhibits the well-known isostructural transition, the so-called gamma-alpha transition, accompanied by an enormous volume collapse. Most interestingly, we have discovered that a topological-phase transition also takes place in elemental Ce, concurrently with the gamma-alpha transition. Based on the dynamical mean-field theory approach combined with density functional theory, we have unravelled that the non-trivial topology in alpha-Ce is driven by the f-d band inversion, which arises from the formation of coherent 4f band around the Fermi level. We captured the formation of the 4f quasi-particle band that is responsible for the Lifshitz transition and the non-trivial Z2 topology establishment across the phase boundary. This discovery provides a concept of 'topology switch' for topological Kondo systems. The 'on' and 'off' switching knob in Ce is versatile in a sense that it is controlled by available pressure (around 1 GPa) at room temperature.

References in corpus (27)

• Wannier90: A Tool for Obtaining Maximally-Localised Wannier Functions
• Maximally localized Wannier functions: Theory and applications
• WannierTools: An open-source software package for novel topological materials
• Topological Kondo Insulators
• Quantum Monte Carlo Impurity Solver for Cluster DMFT and Electronic Structure Calculations in Adjustable Base
• Dynamical Mean-Field Theory within the Full-Potential Methods: Electronic structure of Ce-115 materials
• Wien2wannier: From linearized augmented plane waves to maximally localized Wannier functions
• Surface electronic structure of the topological Kondo insulator candidate correlated electron system SmB6
• Correlated Topological Insulators with Mixed Valence
• Modelling the Localized to Itinerant Electronic Transition in the Heavy Fermion System CeIrIn5
• The Cerium volume collapse: Results from the LDA+DMFT approach
• Free energy from stationary implementation of the DFT+DMFT functional
• The alpha to gamma transition in Ce: a theoretical view from optical spectroscopy
• The spectral and magnetic properties of $\alpha$- and $\gamma$-Ce from the Dynamical Mean-Field Theory and Local Density Approximation
• The $\gamma$-$\alpha$ iso-structural Transition in Cerium, a Critical Element
• Covalency in transition metal oxides within all-electron Dynamical Mean Field Theory
• Temperature-dependent Fermi surface evolution in heavy fermion CeIrIn5
• Surface Kondo Effect and Non-Trivial Metallic State of the Kondo Insulator YbB12
• Infrared and optical spectroscopy of alpha and gamma-phase Ce
• Electronic structure of cerium: A comprehensive first-principles study
• Band Excitations in CePd${}_3$: A Comparison of Neutron Scattering and ab initio Theory
• Lazy skip lists, a new algorithm for fast hybridization-expansion quantum Monte Carlo
• CeRu${}_4$Sn${}_6$: a strongly correlated material with nontrivial topology
• $\alpha -\gamma$ transition in cerium: magnetic form factor and dynamic magnetic susceptibility in dynamical mean-field theory
• Topological properties and the dynamical crossover from mixed-valence to Kondo-lattice behavior in golden phase of SmS
• Tricritical Phenomena at the Cerium $\gamma \to \alpha$ Transition
• Multiple topological Dirac cones in a mixed-valent Kondo semimetal: g-SmS

Cited by in corpus (5)

• Bandwidth-control orbital-selective delocalization of 4f electrons in epitaxial Ce films
• Dynamical Mean-Field Theory of Strongly Correlated Electron Systems
• One-dimensionality signature in optical conductivity of heavy-fermion CeIr${}_3$B${}_2$
• Impact of correlations on topology in Kane-Mele model decorated with impurities
• Phase transitions of correlated systems from graph neural networks with quantum embedding techniques