Related papers: Improved model for the thermal conductivity of bin…
We investigate the infinite-dimensional two-orbital Hubbard model at arbitrary band fillings. By means of the self-energy functional approach, we discuss the stability of the metallic state in the systems with same and different bandwidths.…
We investigate the temperature dependence of optical absorption spectra of one-dimensional (1D) and two-dimensional (2D) Mott insulators by using an effective model in the strong-coupling limit of a half-filed Hubbard model. In the…
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…
Correlation-driven metal-insulator transitions and temperature-driven quantum-coherent-to-incoherent crossovers in correlated electron systems underpin the doping, temperature and frequency-resolved evolution of physical responses.…
The elastic tensor provides valuable insight into the mechanical behavior of a material with lattice strain, such as disordered binary alloys. Traditional stress-strain methods have made it possible to compute elastic constants for ordered…
We discuss the dependence of self- and interdiffusion coefficients on temperature and composition for two prototypical binary metallic melts, Al-Ni and Zr-Ni, in molecular-dynamics (MD) computer simulations and the mode-coupling theory of…
ZrTe$_5$ is considered a potential candidate for either a Dirac semimetal or a topological insulator in close proximity to a topological phase transition. Recent optical conductivity results motivated a two-band model with a conical…
The physics of quantum many-body systems have been studied using bulk correlated materials, and recently, moir\'e superlattices formed by atomic bilayers have appeared as a novel platform in which the carrier concentration and the band…
Diffusion of electrons in a two-dimensional system with time-dependent random potentials is investigated numerically. In the absence of spin-orbit scattering, the conductivity shows universal weak localization correction. In the presence of…
We use determinant Quantum Monte Carlo simulations and exact diagonalization to explore insulating behavior in the Hubbard model with a bimodal distribution of randomly positioned local site energies. From the temperature dependence of the…
Density functional theory (DFT) based first-principles investigations of structural, elastic, electronic band structure, and optical properties of superconducting ternary phosphides (BaM2P2; M = Ni, Rh) have been carried out in this study.…
The accurate description of the non-linear response of many-electron systems to strong-laser fields remains a major challenge. Methods that bypass the unfavorable exponential scaling with particle number are required to address larger…
In the present study we have investigated the structural properties, electronic band dispersion, elastic constants, acoustic behavior, phonon spectrum, optical properties, and a number of thermophysical parameters of binary topological…
An electronic solid with itinerant carriers and localized magnetic moments represents a paradigmatic strongly correlated system. The electrical transport properties associated with the itinerant carriers, as they scatter off these local…
Hybrid (organic-inorganic) materials have emerged as a promising class of thermoelectric materials, achieving power factors exceeding those of either constituent. The mechanism of this enhancement is still under debate, and pinpointing the…
The quarter-filling extended Hubbard model on the triangular lattice is studied to explore pairing instability in the three-fold charge-ordered (CO) metal. We derive a second-order strong-coupling effective Hamiltonian of doped carriers…
We present a temperature-dependent extension of the approximate electronic conductivity formula of Hindley and Mott that leverages time-averaged fluctuations of the electronic density of states obtained from ab initio molecular dynamics. By…
While 2D materials attract considerable interests for their exotic electronic and mechanical properties, their phase behaviour is still largely not understood. This work focuses on (Mo:Ti)S$_2$ binary alloys which have captured the interest…
We propose a weakly coupled two-band model with $d_{x^2-y^2}$ pairing symmetry to account for the anomalous temperature dependence of superfluid density $\rho_s$ in electron-doped cuprate superconductors. This model gives a unified…
Moir\'e super-potentials in two-dimensional materials allow unprecedented control of the ratio between kinetic and interaction energy. By this, they pave the way to study a wide variety of strongly correlated physics under a new light. In…