Related papers: Improved model for the thermal conductivity of bin…
We develop a systematic theory for excitons subject to Fermi-Hubbard physics in moir\'e twisted transition metal dichalcogenides (TMDs). Specifically, we consider excitons in moir\'e systems for which the valence band is in the…
We investigate thermoelectric (TE) properties of two-dimensional materials possessing two Dirac bands (a Dirac band) and a nonlinear band within the three-(two-)band model using linearized Boltzmann transport theory and relaxation time…
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…
We compute scattering rates for electrons in the two-dimensional Hubbard model for a one-orbital metal and a two-orbital band insulator by means of the Boltzmann scattering equation (BSE) and dynamical mean-field theory (DMFT). As an…
Twisted bilayer transition metal dichalcogenides have emerged as important model systems for the investigation of correlated electron physics because their interaction strength, carrier concentration, band structure, and inversion symmetry…
The elastic properties of paramagnetic cubic B1 (c-) Cr1-xAlxN ternary alloys are studied using stress-strain and energy-strain methods within the framework of Density Functional Theory (DFT). A strong compositional dependence of the…
A magnetic toroidal moment is a fundamental electronic degree of freedom in the absence of both spatial inversion and time-reversal symmetries and gives rise to novel multiferroic and transport properties. We elucidate essential model…
We theoretically consider the temperature and density dependent transport properties of semiconductor-based 2D carrier systems within the RPA-Boltzmann transport theory, taking into account realistic screened charged impurity scattering in…
Moir\'e superlattices created by the twisted stacking of two-dimensional crystalline monolayers can host electronic bands with flat energy dispersion in which interaction among electrons is strongly enhanced. These superlattices can also…
We study the interplay between Mott physics, driven by Coulomb repulsion U, and Hund physics, driven by Hund's coupling J, for a minimal model for Hund metals, the orbital-symmetric three-band Hubbard-Hund model (3HHM) for a lattice filling…
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…
Motivated by the recent experimental demonstration of the doping dependence of the linear-in-temperature resistivity coefficient in cuprates, we numerically investigated the three-orbital Emery model focusing on the slope of the $T$-linear…
We have performed differential conductance versus voltage measurements of Au/MgB2 point contacts. We find that the dominant component in the conductance is due to Andreev reflection. The results are fitted to the theoretical model of BTK…
We have used the Kubo formula to calculate the temperature dependence of the electrical conductance of the double exchange Hamiltonian. We average the conductance over an statistical ensemble of clusters, which are obtained by performing…
Stable organic radicals integrated into molecular junctions represent a practical realization of the single-orbital Anderson impurity model. Motivated by recent experiments for perchlorotriphenylmethyl (PTM) molecules contacted to gold…
In recent years, the investigation of novel materials for various technological applications has gained much importance in materials science research. Tri-molybdenum phosphide (Mo3P), a promising transition metal phosphide (TMP), has…
The electric conductivity of Dirac electrons in the organic conductor $\alpha$-(BEDT-TTF)$_2$I$_3$ [BEDT-TTF = bis(ethylenedithio)tetrathiafulvalene] under pressure has been examined using a two-dimensional tight-binding (TB) model with…
We have investigated the time-modulated coherent quantum transport phenomena in a ballistic open quantum dot. The conductance $G$ and the electron dwell time in the dots are calculated by a time-dependent mode-matching method. Under…
We consider superconductivity in the presence of impurities in a two-band model suited for the description of iron-based superconductors. We analyze the effect of interband scattering processes on superconductivity, allowing for orbital,…
It is shown that recent experiments indicating a metal-insulator transition in 2D electron systems can be interpreted in terms of a simple model, in which the resistivity is controlled by scattering at charged hole traps located in the…