Related papers: Hard-wall Potential Function for Transport Propert…
The Lorenz ratio serves as a measure to compare thermal and electric conductivities of metals. Recent experiments observed small Lorenz ratios in the compensated metal WP$_2$, indicating that charge flow is strongly favored over heat…
The temperature dependence of the transport properties of the metallic phase of a frustrated Hubbard model on the hypercubic lattice at half-filling are calculated. Dynamical mean-field theory, which maps the Hubbard model onto a single…
The intermolecular potential plays crucial roles in real-fluid interactions away from the ideal-gas equilibrium, such as supercritical fluid, high-enthalpy fluid, plasma interactions, etc. We propose a Boltzmann-weighted Full-dimensional…
The van der Waals coefficients for the alkali-metal atoms from Na to Fr interacting in their ground states, are calculated using relativistic ab initio methods. The accuracy of the calculations is estimated by also evaluating atomic static…
We calculate the temperature dependence of the transport properties of heavy-fermion systems such as resistivity, optical conductivity, thermoelectric power, the electronic part of the thermal conductivity, and the "figure of merit." The…
We propose an efficient scheme, which combines density functional theory (DFT) with deep potentials (DP), to systematically study the convergence issues of the computed electronic thermal conductivity of warm dense Al (2.7 g/cm$^3$,…
Charge transport is a revealing probe of the quantum properties of materials. Strong interactions can blur charge carriers resulting in a poorly understood "quantum soup". Here we study the conductivity of the Fermi-Hubbard model, a testing…
This report reviews recent progress in computing Kubo formulas for general interacting Hamiltonians. The aim is to calculate electric and thermal magneto-conductivities in strong scattering regimes where Boltzmann equation and Hall…
Laser blow-off injections of aluminum and tungsten have been performed on the DIII-D tokamak to investigate the variation of impurity transport in a set of dedicated ion and electron heating scans with a fixed value of the external torque.…
Charge and heat transport through a single molecule tunnel-coupled to external normal electrodes have been studied. The molecule with sufficiently strong interaction between lectrons and vibrational internal degrees of freedom can be…
In our short review, we consider the transport properties of strongly correlated Fermi systems like heavy fermion metals and high-$T_c$ superconductors. Their transport properties are defined by strong inter-particle interaction forming…
Transport properties of liquid methanol and ethanol are predicted by molecular dynamics simulation. The molecular models for the alcohols are rigid, non-polarizable and of united-atom type. They were developed in preceding work using…
Much of the understanding of bulk liquids has progressed through study of the limiting case in which molecules interact via purely repulsive forces, such as a hard-core potential. In the same spirit, we report progress on the understanding…
We establish an approach to compute linear-response functions to elucidate heat waves and non-local thermal transport. The theory is able to describe the response of a system to external heat sources that are nonuniform in space and time.…
The structural property of liquid cesium is investigated in the temperature range 900 K to 1900 K by application of semiempirical effective Lennard-Jones (8.5-4) pair potential function and employing Gillan s algorithm to solve…
The properties of one-dimensional liquids are studied for several interaction potentials for which, under certain assumptions, the properties of the system admit an analytical solution. The studied potentials are the triangle-well and the…
Strongly correlated metals often display anomalous transport, including $T$-linear resistivity above the Mott-Ioffe-Regel limit. We introduce a tractable microscopic model for such bad metals, by supplementing the well-known Hubbard model…
The retarded long-range potentials for hydrogen and alkali-metal atoms in their ground states and a perfectly conducting wall are calculated. The potentials are given over a wide range of atom-wall distances and the validity of the…
The Kohn-Luttinger (KL) mechanism of pairing, which describes superconductivity emergent from repulsive interactions, typically yields Cooper pairs at high angular-momentum ($\ell > 0$) and extremely low transition temperatures ($T_c$).…
The standard model of Mn doping in GaAs is subjected to a coherent potential approximation (CPA) treatment. Transport coefficients are evaluated within the linear response Kubo formalism. Both normal (NHE) and anomalous contributions (AHE)…