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

Introducing the concept of the Widom line in the QCD phase diagram

Critical phenomena emerging from the critical end point of a first-order transition are ubiquitous in nature. Here we bring the concept of a supercritical crossover, the Widom line, initially developed in the context of fluids, into the interacting matter described by quantum chromodynamics (QCD). We show that the existence of the putative critical end point between hadron gas and quark-gluon plasma in the temperature versus chemical potential of the QCD phase diagram implies the existence of a Widom line emerging from it in the supercritical region. We survey the thermodynamic anomalies already identified in simplified theoretical models of QCD exhibiting a critical end point, to show that they can be interpreted in terms of a Widom line. Then we suggest possible directions where the Widom line concept could provide new light on the QCD phase diagram

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

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

Sign-problem-free quantum Monte Carlo of the onset of antiferromagnetism in metals

The quantum theory of antiferromagnetism in metals is necessary for our understanding of numerous intermetallic compounds of widespread interest. In these systems, a quantum critical point emerges as external parameters (such as chemical doping) are varied. Because of the strong coupling nature of this critical point, and the "sign problem" plaguing numerical quantum Monte Carlo (QMC) methods, its theoretical understanding is still incomplete. Here, we show that the universal low-energy theory for the onset of antiferromagnetism in a metal can be realized in lattice models, which are free from the sign problem and hence can be simulated efficiently with QMC. Our simulations show Fermi surface reconstruction and unconventional spin-singlet superconductivity across the critical point.Comment: 17 pages, 4 figures; (v2) revised presentatio