Related papers: Improved model for the thermal conductivity of bin…
Two recent experiments from Cornell and Columbia have reported insulator-to-metal transitions in two-dimensional (2D) moir\'e transition metal dichalcogenides (mTMD) induced by doping around half-filling, where the system is a Mott…
Numerical calculations of lattice thermal conductivity are reported for the binary alloys NiPd and NiPt. The present work is a continuation of an earlier paper by us [PRB, 72, 214207 (2005)]which had developed a theoretical framework for…
We analyze multi-orbital Hubbard models describing Hund's metals, focusing on the ubiquitous occurrence of a charge instability, signalled by a divergent/negative electronic compressibility, in a range of doping from the half-filled Mott…
Interest in high entropy alloy thermoelectric materials is predicated on achieving ultralow lattice thermal conductivity $\kappa\sub{L}$ through large compositional disorder. However, here we show that for a given mechanism, such as mass…
Motivated by recent experimental studies that have found signatures of a correlated insulator phase and tuning superconductivity in twisted bilayer graphene, we study the temperature-dependent conductivity, the spin correlation and the…
We present here a formulation for the calculation of the configuration averaged lattice thermal conductivity in random alloys. Our formulation is based on the augmented-space theorem, introduced by one of us, combined with a generalized…
We study the thermoelectric effect of two-dimensional metals on a square lattice within semiclassical Boltzmann transport theory with particular focus on electron-electron scattering. We compute the electrical conductivity and the Seebeck…
We revisited the influence of electron-electron scattering on the resistivity of a two-dimensional system with linear spectrum. In conventional systems with parabolic spectrum, where Umklapp scattering is either prohibited or ineffective…
We study the temperature dependence of the conductivity of the 2D electronic solid. In realistic samples, a domain structure forms in the solid and each domain randomly orients in the absence of the in-plane field. At higher temperature,…
Materials with ring-shaped electronic bands are promising thermoelectric candidates, since their unusual dispersion shape is predicted to give large power factors. While previous calculations of these materials have relied on the assumption…
Recent first-principles electron-phonon scattering calculations of heavily-doped semiconductors suggest that a simple DOS scattering model, wherein the electronic scattering rates are assumed to be proportional to the density-of-states,…
We propose to increase the superconducting transition temperature Tc of strongly correlated materials by designing heterostructures which exhibit a high pairing energy as a result of magnetic fluctuations. More precisely, applying an…
We study the transfer of spectral weight in the optical spectra of a strongly correlated electron system as a function of temperature and interaction strength. Within a dynamical mean field theory of the Hubbard model that becomes exact in…
We formulate a rigorous method for calculating a nonadiabatic (frequency-dependent) exchange-correlation (XC) kernel required for correct description of both equilibrium and nonequilibrium properties of strongly correlated systems within…
We describe and discuss the low-temperature resistivity (and the temperature-dependent inelastic scattering rate) of several different doped 2D semiconductor systems from the perspective of the Planckian hypothesis asserting that…
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…
Electronic states of single-component molecular metals M(tmdt)2 (M = Ni, Au) are studied theoretically. We construct an effective three-band Hubbard model for each material by numerical fitting to first-principles band calculations, while…
The impurity concentration dependence of superconducting transition temperature $T_c$ is studied within the framework of two band model of order parameter anisotropy. Both intraband and interband electron scattering by nonmagnetic and…
A density functional theory based two-terminal scattering formalism that includes spin-orbit coupling and spin non-collinearity is described. An implementation using tight-binding muffin-tin orbitals combined with extensive use of sparse…
The temperature dependence of a system exhibiting a `metal-insulator transition in two dimensions at zero magnetic field' (MIT) is studied up to 90K. Using a classical scattering model we are able to simulate the non-monotonic temperature…