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arXiv:2506.16533 · Advanced Theory and Simulations

Mott Metal‐Insulator Transition in a Modified Periodic Anderson Model: Insights from Entanglement Entropy and Role of Short‐Range Spatial Correlations

Ankur Majumder, Sudeshna Sen

Published Oct 15, 2025• 1 citation
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Abstract

Abstract The Mott transition is a paradigmatic phenomenon where Coulomb interactions between electrons drive a metal‐insulator phase transition. It is extensively studied within the Hubbard model, where a quantum critical transition occurs at a finite temperature second‐order critical point. This work investigates the Mott transition in a modified periodic Anderson model that may be viewed as a three‐orbital lattice model including an interacting, localized orbital coupled to a delocalized conduction orbital via a second conduction orbital. Within the dynamical mean field theory, this model possesses a strictly zero temperature quantum critical point separating a Fermi liquid and a Mott insulating phase. By employing a simplified version of the dynamical mean field theory, namely, the two‐site or linearized dynamical mean field theory, an analytical estimate is provided for the critical parameter strengths at which the transition occurs at zero temperature. An analytical estimate of the single‐site von Neumann entanglement entropy is also provided. This measure can be used as a robust identifier for the phase transition. These calculations are extended to their cluster version to incorporate short‐range, spatial correlations and discuss their effects on the transition observed in this model.

DOI
10.1002/adts.202501224

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Abstract The Mott transition is a paradigmatic phenomenon where Coulomb interactions between electrons drive a metal‐insulator phase transition. It is extensively studied within the Hubbard model, where a quantum critical transition occurs at a finite temperature second‐order critical point. This work investigates the Mott transition in a modified periodic Anderson model that may be viewed as a three‐orbital lattice model including an interacting, localized orbital coupled to a delocalized conduction orbital via a second conduction orbital. Within the dynamical mean field theory, this model possesses a strictly zero temperature quantum critical point separating a Fermi liquid and a Mott insulating phase. By employing a simplified version of the dynamical mean field theory, namely, the two‐site or linearized dynamical mean field theory, an analytical estimate is provided for the critical parameter strengths at which the transition occurs at zero temperature. An analytical estimate of the single‐site von Neumann entanglement entropy is also provided. This measure can be used as a robust identifier for the phase transition. These calculations are extended to their cluster version to incorporate short‐range, spatial correlations and discuss their effects on the transition observed in this model.
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We investigate quantum phase transitions in the extended periodic Anderson model, which includes electron correlations within and between itinerant and localized bands. We calculate zero and finite temperature properties of the system using the combination of dynamical mean-field theory and the numerical renormalization group. At half filling, a first-order phase transition between a Mott insulating state and a Kondo insulating state occurs in the strong-coupling regime. We furthermore find that a metallic state is stabilized in the weak-coupling regime. This state should be adiabatically connected to the orbital selective Mott state with one orbital-localized and the other itinerant. The effect of hole doping is also addressed.
The Mott-Hubbard transition is a paradigmatic phenomenon driven by strong electronic correlations. We investigate this transition in a three-orbital modified periodic Anderson model using slave-rotor mean-field theory. A minimal two-site cluster extension is introduced to understand the minimal effects of short-range spatial correlations. In comparison to the single-site solution, short-range spatial correlations reveal a shift of the transition point. Going beyond the slave-rotor analysis, we also evaluate the dynamical self-energy and map it onto the boundary Green's function of a non-interacting semi-infinite auxiliary chain. For the metallic phase, the resulting hopping pattern corresponds to a topologically trivial generalized Su--Schrieffer--Heeger chain. This construction provides a framework for exploring the possible topological character of the Mott transition in this model.
We address the nature of the Mott transition in the Hubbard model at half-filling using cluster dynamical mean field theory (DMFT). We compare cluster-DMFT results with those of single-site DMFT. We show that inclusion of the short-range correlations on top of the on-site correlations does not change the order of the transition between the paramagnetic metal and the paramagnetic Mott insulator, which remains first order. However, the short range correlations reduce substantially the critical U and modify the shape of the transition lines. Moreover, they lead to very different physical properties of the metallic and insulating phases near the transition point. Approaching the transition from the metallic side, we find an anomalous metallic state with very low coherence scale. The insulating state is characterized by the narrow Mott gap with pronounced peaks at the gap edge.
The nature of the metal-insulator Mott transition at zero temperature has been discussed for a number of years. Whether it occurs through a quantum critical point or through a first-order transition is expected to profoundly influence the nature of the finite-temperature phase diagram. In this paper, we study the zero temperature Mott transition in the two-dimensional Hubbard model on the square lattice with the variational cluster approximation. This takes into account the influence of antiferromagnetic short-range correlations. By contrast to single-site dynamical mean-field theory, the transition turns out to be first order even at zero temperature.
Abstract: The metal–insulator transition (MIT) constitutes one of the most profound and persistent problems in condensed matter physics, sitting at the intersection of electronic structure theory, many-body physics, and emergent quantum phenomena. Conventional band theory, which successfully classifies materials as metals or insulators according to the filling of their electronic bands, fails dramatically when confronted with a class of compounds transition metal oxides chief among them that ought to be metallic by band-counting arguments yet are robustly insulating in the laboratory. The resolution of this paradox required abandoning the independent-electron picture entirely and recognizing that strong Coulomb repulsion between electrons can, by itself, drive localization. This insight, formalized by Mott and later distilled into the Hubbard model, established correlation-driven insulation as a phenomenon distinct from band insulation. The present paper offers a theoretical exploration of the MIT problem, tracing its conceptual development from the Mott criterion through the Hubbard Hamiltonian, the Brinkman–Rice scenario of quasiparticle mass divergence, and the watershed development of dynamical mean-field theory (DMFT), which rendered the Mott transition quantitatively tractable for the first time. We argue that the competition between the electronic bandwidth and the on-site interaction encoded in the ratio U/W provides the unifying organizing principle for the field. Building toward the modern frontier, we examine how the Mott transition connects to quantum phase transitions and quantum criticality, where zero-temperature instabilities governed by quantum rather than thermal fluctuations produce non-Fermi-liquid behavior and anomalous scaling. Case studies of vanadium oxides, rare-earth nickelates, and doped cuprates illustrate the diversity and subtlety of real correlated materials. We conclude that the MIT remains a central and unresolved problem whose continued study is increasingly entangled with the development of quantum materials and quantum technologies. Keywords: Metal–Insulator Transition; Mott Insulator; Strongly Correlated Electrons; Hubbard Model; DMFT; Quantum Criticality; Quantum Materials; Condensed Matter Physics