Related papers: The Mott criterion: So simple and yet so complex
One of the early triumphs of quantum physics is the explanation why some materials are metallic whereas others are insulating. While a treatment based on single electron states correctly predicts the character of most materials this…
Identifying the fingerprints of the Mott-Hubbard metal-insulator transition may be quite elusive in correlated metallic systems if the analysis is limited to the single particle level. However, our dynamical mean-field calculations…
We use determinant Quantum Monte Carlo simulations and exact diagonalization to explore insulating behavior in the Hubbard model with a bimodal distribution of randomly positioned local site energies. From the temperature dependence of the…
A detailed study of the paramagnetic to ferromagnetic phase transition in the one-band Hubbard model in the presence of binary alloy disorder is presented. The influence of the disorder (with concentration $x$ and $1-x$ of the two alloy…
We study the electronic structure, magnetic state, and phase stability of paramagnetic BiNiO$_3$ near a pressure-induced Mott insulator-to-metal transition (MIT) by employing a combination of density functional and dynamical mean-field…
Metal-to-insulator transitions (MITs) are a dramatic manifestation of strong electron correlations in solids1. The insulating phase can often be suppressed by quantum tuning, i.e. varying a nonthermal parameter such as chemical composi-…
It has been reported that upon doping a Mott insulator, there can be a crossover to a pseudogaped metallic phase followed by a first-order transition to another thermodynamically stable metallic phase. We call this first-order metal-metal…
We show numerically that the nature of the doping induced metal-insulator transition in the two-dimensional Hubbard model is radically altered by the inclusion of a term, $W$, which depends upon a square of a single-particle…
We argue that aspects of the anomalous, low temperature, spin and charge dynamics of the high temperature superconductors can be understood by studying the corresponding physics of undoped Mott insulators. Such insulators display a quantum…
We present the observation of an isostructural Mott insulator-metal transition in van-der-Waals honeycomb antiferromagnet V$_{0.9}$PS$_3$ through high-pressure x-ray diffraction and transport measurements. The MPX$_3$ family of magnetic…
We report an NMR and magnetometry study on the expanded intercalated fulleride Cs_3C_60 in both its A15 and face centered cubic structures. NMR allowed us to evidence that both exhibit a first-order Mott transition to a superconducting (SC)…
We present a theory describing the mechanism for the two-dimensional (2D) metal-insulator transition (MIT) in absence of disorder. A two-band Hubbard model is introduced, describing vacancy-interstitial pair excitations within the Wigner…
The ground state of the Hubbard model is studied within the single-site approximation (SSA) and beyond the SSA. Within the SSA, the ground state is a typical Mott insulator at the critical point n=1 and U/W=+infty, with n being the electron…
The magnetic field effect on the phase diagram of the organic Mott system $\kappa$-(BEDT-TTF)$_{2}$Cu[N(CN)$_{2}$]Br in which the bandwidth was tuned by the substitution of deuterated molecules was studied by means of the resistivity…
We study the non-equilibrium dynamics of a simple model for V2O3 that consists of a quarter-filled Hubbard model for two orbitals that are split by a weak crystal field. Peculiarities of this model are: (1) a Mott insulator whose gap…
Vanadium dioxide undergoes a first order metal-insulator transition at 340 K. In this work, we develop and carry out state of the art linear scaling DFT calculations refined with non-local dynamical mean-field theory. We identify a complex…
We studied several aspects of the Mott metal-insulator transition in the disordered case. The model on which we based our analysis is the disordered Hubbard model, which is the simplest model capable of capturing the Mott metal-insulator…
Many metallic quantum materials display anomalous transport phenomena that defy a Fermi liquid description. Here, we use numerical methods to calculate thermal and charge transport in the doped Hubbard model and observe a cross-over…
Bad-Metal (BM) behavior featuring linear temperature dependence of the resistivity extending to well above the Mott-Ioffe-Regel (MIR) limit is often viewed as one of the key unresolved signatures of strong correlation. Here we associate the…
In complex materials observed electronic phases and transitions between them often involves coupling between many degrees of freedom whose entanglement convolutes understanding of the instigating mechanism. Metal-insulator transitions are…