Related papers: Dielectric Response Near the Density-Driven Mott T…
Spectral properties of the two-dimensional Hubbard model near the Mott transition are investigated by using cluster perturbation theory. The Mott transition is characterized by freezing of the charge degrees of freedom in a single-particle…
We address the nature of the Mott transition in the Hubbard model at half-filling using cluster Dynamical Mean Field Theory (DMFT). We compare cluster DMFT results with those of single site DMFT. We show that inclusion of the short range…
Here we propose and analyze the behavior of a FET--like switching device, the Mott transition field effect transistor, operating on a novel principle, the Mott metal--insulator transition. The device has FET-like characteristics with a low…
We discuss the experimental photoemission and inverse photoemission of early transition metal oxides, in the light of the dynamical mean field theory of correlated electrons which becomes exact in the limit of infinite dimensions. We argue…
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…
The convergence to the self-consistency in the dynamical-mean-field-theory (DMFT) calculations for models of correlated electron systems can be significantly accelerated by using an appropriate mixing of hybridization functions which are…
At low energies the charge sector of one dimensional Mott insulators can be described in terms of a quantum Sine-Gordon model. Using exact results derived from integrability it is possible to determine dynamical properties like the…
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…
Phase transitions in 1/4-filled quasi-one-dimensional molecular conductors are studied theoretically on the basis of extended Hubbard chains including electron-lattice interactions coupled by interchain Coulomb repulsion. We apply the…
We investigate the Mott transition in the Kagom\'e lattice Hubbard model using a cluster extension of dynamical mean field theory. The calculation of the double occupancy, the density of states, the static and dynamical spin correlation…
We show that the Mott transition occurring in bosonic Hubbard models can be successfully described by a simple variational wave function that contains all important long-wavelength correlations. Within this approach, a smooth…
Mott transition plays a key role in strongly correlated physics but its nature is not yet fully understood. Motivated by recent development of Schwinger boson approach for the Kondo lattice, we propose in this work a novel slave fermion…
Quantum mechanical methods based on the density functional theory (DFT) offer a realistic possibility of first-principles design of organic donor-acceptor systems and engineered band-gap materials. This promise is contingent upon the…
We have studied the critical behaviour of a doped Mott insulator near the metal-insulator transition for the infinite-dimensional Hubbard model using a linearized form of dynamical mean-field theory. The discontinuity in the chemical…
Most realistic calculations of moderately correlated materials begin with a ground-state density functional theory (DFT) calculation. While Kohn-Sham DFT is used in about 40,000 scientific papers each year, the fundamental underpinnings are…
The integration of density functional theory (DFT) with machine learning enables efficient \textit{ab initio} electronic structure calculations for ultra-large systems. In this work, we develop a transfer learning framework tailored for…
In this paper, we investigate the impact of nonlocal correlations on charge fluctuations in the two-dimensional single-band Hubbard model close to the Mott metal-to-insulator transition, employing the ladder dynamical vertex approximation.…
Orbital-free density functional theory (OF-DFT) constitutes a computationally highly effective tool for modeling electronic structures of systems ranging from room-temperature materials to warm dense matter. Its accuracy critically depends…
For continuous Mott metal-insulator transitions in layered two dimensional systems, we demonstrate the phenomenon of dimensional decoupling: the system behaves as a three-dimensional metal in the Fermi liquid side but as a stack of…
Conductivity is one of the most direct probes of electronic systems, yet its theoretical description remains challenging in the presence of strong non-local correlations. In this Letter, we analyze the conductivity of the half-filled…