We use the dynamical mean-field approximation to study singularities in the self-energy and a two-particle irreducible vertex induced by the metal-insulator transition of the disordered Falicov-Kimball model. We set general conditions for the existence of a critical metal-insulator transition caused by a divergence of the imaginary part of the self-energy. We calculate explicitly the critical behavior of the self-energy for the symmetric and asymmetric disorder distributions. We demonstrate that the metal-insulator transition is preceded by a pole in a two-particle irreducible vertex. We show that unlike the singularity in the self-energy the divergence in the irreducible vertex does not lead to nonanalyticities in measurable physical quantities. We reveal universal features of the critical metal-insulator transition that are transferable also to the Mott-Hubbard transition in the models of the local Fermi liquid.
We use the dynamical mean-field approximation to study singularities in the self-energy and a two-particle irreducible vertex induced by the metal-insulator transition of the disordered Falicov-Kimball model. We set general conditions for the existence of a critical metal-insulator transition caused by a divergence of the imaginary part of the self-energy. We calculate explicitly the critical behavior of the self-energy for the symmetric and asymmetric disorder distributions. We demonstrate that the metal-insulator transition is preceded by a pole in a two-particle irreducible vertex. We show that unlike the singularity in the self-energy the divergence in the irreducible vertex does not lead to nonanalyticities in measurable physical quantities. We reveal universal features of the critical metal-insulator transition that are transferable also to the Mott-Hubbard transition in the models of the local Fermi liquid.
The statistical dynamical mean field theory is used to study the metal-insulator transition in the two-dimensional Falicov-Kimball model with local disorder. Within the theory, the local density of states and its distributions are calculated. As a measure of the metal-insulator transition driven by correlation and disorder, the most probable value of the local density of states is determined. The most probable value of the local density of states is found to exhibit a discontinuity when the system crosses from extended states to localization. A phase diagram is also presented.
The Mott-Hubbard metal-insulator transition is one of the most important problems in correlated-electron systems. In the past decade, much progress has been made in examining a particle-hole symmetric form of the transition in the Hubbard model with dynamical mean field theory, where it was found that the electronic self-energy develops a pole at the transition. We examine the particle-hole asymmetric metal-insulator transition in the Falicov-Kimball model and find that a number of features change when the noninteracting density of states has a finite bandwidth.
We thoroughly analyze the divergences of the irreducible vertex functions occurring in the charge channel of the half-filled Hubbard model in close proximity to the Mott metal-insulator transition (MIT). In particular, by systematically performing dynamical mean-field theory (DMFT) calculations on the two-particle level, we determine the location and the number of the vertex divergences across the whole coexistence region adjacent to the first-order metal-to-insulator transition. We find that the lines in the parameter space, along which the vertex divergences occur, display a qualitatively different shape in the coexisting metallic and insulating phase, which is also associated to an abrupt jump of the number of divergences across the MIT. Physically, the systematically larger number of divergences on the insulating side of the transition reflects the sudden suppression of local charge fluctuation at the MIT. Further, a systematic analysis of the results demonstrates that the number of divergence lines increases as a function of the inverse temperature $\ensuremath{\beta}={({k}_{\mathrm{B}}T)}^{\ensuremath{-}1}$ by approaching the Mott transition in the zero-temperature limit. This makes it possible to identify the zero-temperature MIT as an accumulation point of an infinite number of vertex divergence lines, unveiling the highly nonperturbative nature of the underlying transition.
In this work, we analyze in detail the occurrence of divergences in the irreducible vertex functions for one of the fundamental models of many-body physics: the Anderson impurity model (AIM). These divergences, a surprising hallmark of the breakdown of many-electron perturbation theory, have been recently observed in several contexts, including the dynamical mean-field solution of the Hubbard model. The numerical calculations for the AIM presented in this work, as well as their comparison with the corresponding results for the Hubbard model, allow us to clarify several open questions about the properties of vertex divergences in a particularly interesting context, the correlated metallic regime at low temperatures. Specifically, our analysis (i) rules out explicitly the transition to a Mott-insulating phase, but not the more general suppression of charge fluctuations (proposed in [O. Gunnarsson et al., Phys. Rev. B 93, 245102 (2016)]), as a necessary condition for the occurrence of vertex divergences, (ii) clarifies their relation with the underlying Kondo physics, and, eventually, (iii) individuates which divergences might also appear on the real-frequency axis in the limit of zero temperature, through the discovered scaling properties of the singular eigenvectors.
We analyze the highly nonperturbative regime surrounding the Mott-Hubbard metal-to-insulator transition (MIT) by means of dynamical mean field theory (DMFT) calculations at the two-particle level. By extending the results of Sch\"afer et al. [Phys. Rev. Lett. 110, 246405 (2013)] we show the existence of infinitely many lines in the phase diagram of the Hubbard model where the local Bethe-Salpeter equations, and the related irreducible vertex functions, become singular in the charge as well as the particle-particle channel. By comparing our numerical data for the Hubbard model with analytical calculations for exactly solvable systems of increasing complexity [disordered binary mixture (BM), Falicov-Kimball (FK), and atomic limit (AL)], we have (i) identified two different kinds of divergence lines; (ii) classified them in terms of the frequency structure of the associated singular eigenvectors; and (iii) investigated their relation to the emergence of multiple branches in the Luttinger-Ward functional. In this way, we could distinguish the situations where the multiple divergences simply reflect the emergence of an underlying, single energy scale ${\ensuremath{\nu}}^{*}$ below which perturbation theory is no longer applicable, from those where the breakdown of perturbation theory affects, not trivially, different energy regimes. Finally, we discuss the implications of our results on the theoretical understanding of the nonperturbative physics around the MIT and for future developments of many-body algorithms applicable in this regime.
Quantum materials exhibit a rich dynamic of physical parameters, which, when combined, can lead to entirely different behaviors. These parameters constantly compete with each other, with the most influential parameters determining the state of the system. For example, in the case of metal–insulator transitions, electron–electron interactions compete with the kinetic energy of the electrons and disorder. Understanding these complex dynamics is crucial for both fundamental physics and the development of novel technological applications, particularly given the role of disorder in tuning critical temperatures, a property with significant potential benefit in the fabrication of new devices where temperature requirements are still the bottleneck. In this article, properties of the Mott metal–insulator transition within disordered electron systems are explored using the disordered Hubbard model, the simplest Hamiltonian for capturing the metal–insulator transition. The model solutions are obtained using the self-consistent statistical dynamical mean-field theory (statDMFT). statDMFT incorporates local electronic correlation effects while allowing for Anderson localization due to disorder.