Metal-Insulator transitions in the periodic Anderson model

We solve the Periodic Anderson model in the Mott-Hubbard regime, using Dynamical Mean Field Theory. Upon electron doping of the Mott insulator, a metal-insulator transition occurs which is qualitatively similar to that of the single band Hubbard model, namely with a divergent effective mass and a first order character at finite temperatures. Surprisingly, upon hole doping, the metal-insulator transition is not first order and does not show a divergent mass. Thus, the transition scenario of the single band Hubbard model is not generic for the Periodic Anderson model, even in the Mott-Hubbard regime.Comment: 5 pages, 4 figure

Asymmetry between the electron- and hole-doped Mott transition in the periodic Anderson model

We study the doping driven Mott metal-insulator transition (MIT) in the periodic Anderson model set in the Mott-Hubbard regime. A striking asymmetry for electron or hole driven transitions is found. The electron doped MIT at larger U is similar to the one found in the single band Hubbard model, with a first order character due to coexistence of solutions. The hole doped MIT, in contrast, is second order and can be described as the delocalization of Zhang-Rice singlets.Comment: 18 pages, 19 figure

Pseudogap temperature as a Widom line in doped Mott insulators

The pseudogap refers to an enigmatic state of matter with unusual physical properties found below a characteristic temperature $T^*$ in hole-doped high-temperature superconductors. Determining $T^*$ is critical for understanding this state. Here we study the simplest model of correlated electron systems, the Hubbard model, with cluster dynamical mean-field theory to find out whether the pseudogap can occur solely because of strong coupling physics and short nonlocal correlations. We find that the pseudogap characteristic temperature $T^*$ is a sharp crossover between different dynamical regimes along a line of thermodynamic anomalies that appears above a first-order phase transition, the Widom line. The Widom line emanating from the critical endpoint of a first-order transition is thus the organizing principle for the pseudogap phase diagram of the cuprates. No additional broken symmetry is necessary to explain the phenomenon. Broken symmetry states appear in the pseudogap and not the other way around.Comment: 6 pages, 4 figures and supplementary information; published versio

Mott physics and first-order transition between two metals in the normal state phase diagram of the two-dimensional Hubbard model

For doped two-dimensional Mott insulators in their normal state, the challenge is to understand the evolution from a conventional metal at high doping to a strongly correlated metal near the Mott insulator at zero doping. To this end, we solve the cellular dynamical mean-field equations for the two-dimensional Hubbard model using a plaquette as the reference quantum impurity model and continuous-time quantum Monte Carlo method as impurity solver. The normal-state phase diagram as a function of interaction strength $U$, temperature $T$, and filling $n$ shows that, upon increasing $n$ towards the Mott insulator, there is a surface of first-order transition between two metals at nonzero doping. That surface ends at a finite temperature critical line originating at the half-filled Mott critical point. Associated with this transition, there is a maximum in scattering rate as well as thermodynamic signatures. These findings suggest a new scenario for the normal-state phase diagram of the high temperature superconductors. The criticality surmised in these systems can originate not from a T=0 quantum critical point, nor from the proximity of a long-range ordered phase, but from a low temperature transition between two types of metals at finite doping. The influence of Mott physics therefore extends well beyond half-filling.Comment: 27 pages, 16 figures, LaTeX, published versio

Degradation of lithium-ion batteries under automotive-like conditions: aging tests, capacity loss and q-OCP interpretation

Battery electric vehicles are spreading worldwide as a relevant solution for the decarbonization of the transportation sector, ensuring high volume and weight-based energy density, high efficiency and low cost. Nevertheless, batteries are known to age in a rather complex and conditions-dependent way. This work aims at investigating battery aging resulting from close-to-real world conditions, highlighting single stressors role. Hence, aiming at representativeness for automotive application, an extensive literature review is performed, identifying a wide set of representative conditions together with their specific variations to be investigated. Realistic driving schedules like WLTP is identified and continuously applied in cycling on commercial samples, investigating the capacity loss from a q-OCP perspective with an equilibrium model. In general, loss of lithium inventory is detected as the main degradation parameter, likely related to SEI growth. Recharge C-rate and load profile appear as poorly-affecting degradation, while a dominant role is associated with operating temperature. Interestingly, temperature and cycling-related degradation appears to be independent and their effects can be effectively superimposed. Loss of active positive electrode material seems particularly affected by cycling depth of discharge, likely having mechanical origin as particle cracking