Related papers: Band mixing effects in one-dimensional charge tran…
The electronic structure of the vanadium dioxide VO_2 in the tetragonal R and two monocinic M_1 and M_2 structural modifications was calculated in frames of the local-density functional (LDA) approach and the LSDA + U formalism of…
The valence flat bands in transition metal dichalcogenide (TMD) heterobilayers are shown to exhibit strong intralayer spin-orbit coupling. This is reflected in a simple tight-binding model with spin-dependent complex hoppings based on the…
We report structural, magnetization, electrical resistivity and nuclear- and electron spin resonance data of the complex transition metal oxide In_2VO_5 in which structurally well-defined V-O chains are realized. An itinerant character of…
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…
Doping the distorted-perovskite Mott insulators LaTiO$_3$ and GdTiO$_3$ with a single SrO layer along the [001] direction gives rise to a rich correlated electronic structure. A realistic superlattice study by means of the charge…
The dynamics of charge carriers close to the Mott transition is explored theoretically and experimentally in the quasi two-dimensional organic charge-transfer salt $\kappa$-(BEDT-TTF)$_2$Cu[N(CN)$_2$]Br$_x$Cl$_{1-x}$, with varying Br…
We investigate the metal-insulator Mott transition in a generalized version of the periodic Anderson model, in which a band of itinerant electrons is hybridrized with a narrow and strongly correlated band. Using dynamical mean-field theory,…
We extended and corrected Mott's two-band model for the composition-dependence of thermal and electrical conductivity in binary metal alloys based on high-throughput time-domain thermoreflectance (TDTR) measurements on diffusion multiples…
Inspired by recent experimental observations of hybrid topological states [Hossain et al. Nature 628, 527 (2024)], we predict hybrid-order topological insulators in 1H transition metal compounds (TMCs), where both second-order and…
Recent demonstrations of controlled switching between different ordered macroscopic states by impulsive electromagnetic perturbations in complex materials have opened some fundamental questions on the mechanisms responsible for such…
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 propose a cold-atom setup which allows for a dimensional crossover from a two-dimensional quantum spin Hall insulating phase to a three-dimensional strong topological insulator by tuning the hopping between the layers. We further show…
We explore the ground-state properties of the two-band Hubbard model with degenerate electronic bands, parametrized by nearest-neighbor hopping $t$, intra- and inter-orbital on-site Coulomb repulsions $U$ and $U^\prime$, and Hund coupling…
We present a dynamical mean-field theory (DMFT) study of the charge and orbital correlations in finite-size La$_{0.5}$Ca$_{0.5}$MnO$_3$ (LCMO) nanoclusters. Upon nanostructuring LCMO to clusters of 3 nm diameter, the size reduction induces…
Spin-liquid behavior was recently suggested experimentally in the moderately one-dimensional organic compound $\kappa$-H$_3$(Cat-EDT-TTF)$_2$. This compound can be modeled by the one-band Hubbard model on the anisotropic triangular lattice…
A fundamental issue of the Mott transition is how electrons behaving as single particles carrying spin and charge in a metal change into those exhibiting separated spin and charge excitations (low-energy spin excitation and high-energy…
An understanding of the anomalous charge dynamics in the high-Tc cuprates is obtained based on a model study of doped Mott insulators. The high-temperature optical conductivity is found to generally have a two-component structure: a Drude…
We show that spin-orbit splitting (SOS) in monolayers of semiconducting transition metal dichalcogenides (TMDs) is substantially enhanced by electron-electron interaction. This effect, similar to the exchange-enhancement of the electron…
We characterize the low-energy physics of the two-orbital Hubbard model in the orbital-selective Mott phase, in which one band is metallic and the other insulating. Using dynamical mean-field theory with the numerical renormalization group…
We investigate the optical properties of one-dimensional (1D) dimerized Mott insulators using the 1D dimerized extended Hubbard model. Numerical calculations and a perturbative analysis from the decoupled-dimer limit clarify that there are…