相关论文: A Local Mott Transition in NiO Resistance Random A…

The breakdown of the Mott insulator is studied when the dissipative tunneling into the environment is introduced to the system. By exactly solving the one-dimensional asymmetric Hubbard model, we show how such a breakdown of the Mott…

We extend previous studies on orbital-selective Mott transitions in the paramagnetic state of the half-filled degenerate two-band Hubbard model to the general doped case, using a high-precision quantum Monte Carlo dynamical mean-field…

We consider a minimal model to investigate the metal-insulator transition in VO$_2$. We adopt a Hubbard model with two orbital per unit cell, which captures the competition between Mott and singlet-dimer localization. We solve the model…

Quantum corrections to electrical resistance can serve as sensitive probes of the magnetic landscape of a material. For example, interference between time-reversed electron paths gives rise to weak localization effects, which can provide…

Unconventional phases often occur where two competing mechanisms compensate. An excellent example is the ionic Hubbard model where the alternating local potential $\delta$, favoring a band insulator (BI), competes with the local repulsion…

Wilson's numerical renormalization group (NRG) method for the calculation of dynamic properties of impurity models is generalized to investigate the effective impurity model of the dynamical mean field theory at finite temperatures. We…

The insulator-bad metal transition observed in the Jahn-Teller (JT) magnets orthonickelates RNiO$_3$ (R = rare earth or yttrium Y) is considered to be a canonical example of the Mott transition, traditionally described in the framework of…

The anisotropic two-orbital Hubbard model is investigated at low temperatures using high-precision quantum Monte Carlo (QMC) simulations within dynamical mean-field theory (DMFT). We demonstrate that two distinct orbital-selective Mott…

We present a first-principles investigation of the structural, electronic, and magnetic properties of pyrolusite ($\beta$-MnO$_2$) using conventional and extended Hubbard-corrected density-functional theory (DFT+$U$ and DFT+$U$+$V$). The…

The interplay between delocalisation and repulsive interactions can cause electronic systems to undergo a Mott transition between a metal and an insulator. Here we use neural network hidden fermion determinantal states (HFDS) to uncover…

A fully first principles theory capable of treating strongly correlated solids remains the outstanding challenge of modern day materials science. This is exemplified by the transition metal oxides, prototypical Mott insulators, that remain…

Magnetic random access memory (MRAM) is a leading emergent memory technology that is poised to replace current non-volatile memory technologies such as eFlash. However, the scaling of MRAM technologies is heavily affected by…

Quantum algorithms for molecular electronic structure have been developed with lower computational scaling than their classical counterparts, but emerging quantum hardware is far from being capable of the coherence,connectivity and gate…

Charge transfer between hyperthermal alkali atoms and metallic scattering surfaces is an experimental and theoretical arena for many-body interactions. To model new facets, we use a generalized time-dependent Newns-Anderson Hamiltonian…

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 low-energy properties of transition metal oxides (TMOs) are governed by the electrons occupying strongly correlated $d$-orbitals that are hybridized with surrounding ligand oxygen $p$ orbitals to varying degrees. Their physics is thus…

Motivated by the debate of spin-density-wave (SDW) versus local-moment (LM) picture in the iron-based superconducting (FeSC) materials, we consider a two-band orbital-symmetric Hubbard model in which there is robust Fermi surface nesting at…

Cold-atom experiments based on alkali-like atoms provide us with a tool to experimentally realize Hubbard models with a large number $N$ of components. The value of $N$ can be seen as a new handle to tune the properties of the system,…

It is demonstrated that the signatures of the Hubbard Model in the strongly interacting regime can be simulated by modifying the screening in the limit of zero wavevector in Projector-Augmented Wave GW calculations for systems without…

The ramp reversal memory (RRM) is a non-volatile memory effect previously observed in correlated oxides exhibiting temperature-driven metal-insulator transitions (MITs). In essence, when a system displaying RRM is heated to a specific…