Related papers: Kinks and Mid-Infrared Optical Conductivity from S…
We calculate the one-electron Green's function of the 2D attractive Hubbard model by coupling the electrons to pair fluctuations. The latter are approximated by homogeneous amplitude fluctuations and phase correlations corresponding to the…
An effective two-dimensional two-band model for infinite-layer nickelates consists of bands obtained from $d_{x^2-y^2}$ and $s$--like orbitals. We investigate whether it could be mapped onto a single-band Hubbard model and the filling of…
The correlation-driven transition from a paramagnetic metal to a paramagnetic Mott-Hubbard insulator is studied within the half-filled Hubbard model for a thin-film geometry. We consider simple-cubic films with different low-index surfaces…
Motivated by the observation in copper-oxide high-temperature superconductors, we investigate the appearance of kinks in the electronic dispersion due to coupling to phonons for a system with strong electronic repulsion. We study a Hubbard…
We present calculation of optical conductivity in a simple model of electronic spectrum of two-dimensional system with "hot patches" on the Fermi surface, leading to non Fermi-liquid renormalization of the spectral density (pseudogap) on…
We perform investigation of Hubbard model with interaction between strongly correlated conducting electrons on a lattice with Debye phonons. To solve the problem generalized dynamical mean-field DMFT+\Sigma method is employed with…
Site-occupation embedding theory (SOET) is a density-functional theory (DFT)-based method which aims at modelling strongly correlated electrons. It is in principle exact and applicable to model and quantum chemical Hamiltonians. The theory…
We study the role of electron correlations in the presumed type II Weyl semimetallic candidate $\gamma$-MoTe$_2$ by employing density functional theory (DFT) where the on-site Coulomb repulsion (Hubbard U) for the Mo 4$d$ states is included…
Streamlined prediction of the electronic properties of photoactive materials warrants a Density Functional Theory (DFT) based approach that (i) yields reliable bandgaps, (ii) is free of empirically tuned parameters, and (iii) exhibits low…
We consider the Kane-Mele-Hubbard model with a magnetic $\pi$ flux threading each honeycomb plaquette. The resulting model has remarkably rich physical properties. In each spin sector, the noninteracting band structure is characterized by a…
Detailed analysis of the magnetic properties of the Hubbard model within dynamical mean-field theory (DMFT) is presented. Using a RPA-like decoupling of two-particle propagators we derive a universal form for susceptibilities, which…
Using the Hubbard model on a 1D lattice and the "memory function" approach,we have calculated the electrical conductivity of a 1D system of correlated electrons on a lattice. We have determined the temperature and frequency profiles of the…
The one-electron density of states for the half-filled Hubbard model on a triangular lattice is studied as a function of both temperature and Hubbard U using Quantum Monte Carlo. We find three regimes: (1) a strong-coupling Mott-Hubbard…
The pairing symmetry in infinite-layer nickelate superconductors has been an intriguing problem under heated debates. In this work, we study a two-orbital Hubbard model with one strongly correlated $3d$ orbital and one more itinerant $5d$…
We probe the possible double-Weyl state in cubic SrSi2 using optical spectroscopy. The complex optical conductivity was measured in a frequency range from 70 to 22 000 cm-1 at temperatures down to 10 K at ambient pressure. The optical…
We study the optical properties of hydrogen passivated silicon, germanium and mixed Ge/Si core/shell quantum dots (QDs) using high accuracy Density Functional Theory (DFT) and time-dependent DFT (TDFT). We employ the hybrid DFT functional…
Using large-scale dynamical cluster quantum Monte Carlo simulations, we explore the unconventional superconductivity in the hole-doped Hubbard model on the triangular lattice. Due to the interplay of electronic correlations, geometric…
Optical reflectivity experiments have been conducted on single crystals of the Kondo insulator YbB_12 in order to obtain its optical conductivity, \sigma(\omega). Upon cooling below 70 K, a strong supression of \sigma(\omega) is seen in the…
The phase diagrams of quasi two-dimensional organic superconductors display a plethora of fundamental phenomena associated with strong electron correlations, such as unconventional superconductivity, metal-insulator transitions, frustrated…
We formulate a time-dependent density functional theory (TDDFT) in terms of the density matrix to study ultrafast phenomena in semiconductor structures. A system of equations for the density matrix components, which is equivalent to the…