相关论文: Kubo-Greenwood Electrical Conductivity Formulation…
For the case of finite life-time broadening the standard Kubo-formula for the optical conductivity tensor is rederived in terms of Green's functions by using contour integrations, whereby finite temperatures are accounted for by using the…
We propose a non-perturbative $ab$ $initio$ approach to calculate the electrical conductivity of a liquid metal. Our approach is based on the Kubo formula and the theory of electron-phonon coupling (EPC), and unlike the conventional…
Kubo formula is used to get the d.c conductance of a statistical ensemble of two-dimensional clusters of the square lattice in the presence of standard diagonal disorder, a uniform magnetic field and random magnetic fluxes. Working within a…
We develop a new real-space method which allows to evaluate the Kubo-Greenwood conductivity of independent electrons in static aperiodic potentials. We apply it to a numerical study of propagation modes in 3 dimensional quasiperiodic…
We compute the electrical conductivity for liquid hydrogen at high pressure using quantum Monte Carlo. The method uses Coupled Electron-Ion Monte Carlo to generate configurations of liquid hydrogen. For each configuration correlated…
The single-band current-dipole Kubo formula for the dynamical conductivity of heavily doped graphene from Kup\v{c}i\'{c} [Phys. Rev. B 91, 205428 (2015)] is extended to a two-band model for conduction $\pi$ electrons in lightly doped…
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…
In this paper we present a novel approach combining linear response theory (Kubo) for the conductance and the Density Matrix Renormalization Group (DMRG). The system considered is one-dimensional and consists of non-interacting tight…
The Kubo formula for the electrical conductivity is rewritten in terms of a sum of Drude-like contributions associated to the exact eigenstates of the interacting system, each characterized by its own frequency-dependent relaxation time.…
We study a tight binding model including both on site disorder and coupling of the electrons to randomly oriented magnetic moments. The transport properties are calculated via the Kubo-Greenwood scheme, using the exact eigenstates of the…
We describe an efficient numerical approach to calculate the longitudinal and transverse Kubo conductivities of large systems using Bastin's formulation. We expand the Green's functions in terms of Chebyshev polynomials and compute the…
We present a general formula for the tight-binding representation of momentum matrix elements needed for calculating the conductivity based on the Kubo-Greenwood formula using atomic orbitals, which are in general not orthogonal to other…
Electric conductivity is sensitive to effective cross sections among the particles of the partonic medium. We investigate the electric conductivity of a hot plasma of quarks and gluons, solving the relativistic Boltzmann equation. In order…
This study overviews and extends a recently developed stochastic finite-temperature Kohn-Sham density functional theory to study warm dense matter using Langevin dynamics, specifically under periodic boundary conditions. The method's…
We apply the Green-Kubo (G-K) approach to obtain the thermal conductivity tensor of $\beta$-1,3,5,7-tetranitro-1,3,5,7-tetrazocane ($\beta$-HMX) as a function of pressure and temperature from equilibrium molecular dynamics (MD) simulations.…
This work is devoted to the \textit{ab initio} calculation of transport and optical properties of aluminum. The calculation is based on the quantum molecular dynamics simulation, density functional theory and the Kubo-Greenwood formula.…
We investigate the electronic transport properties of copper-graphene composites using a density-functional framework. Conduction in composites by varying the interface distance of a copper/graphene/copper (Cu/G/Cu) interface models was…
We derive a formula for the electrical conductivity of solids that includes relaxation, dissipation, and quantum coherence. The derivation is based on the Kubo formula, with a Mori memory function approach to include dissipation effects at…
Equilibrium molecular dynamics simulations, in combination with the Green-Kubo (GK) method, have been extensively used to compute the thermal conductivity of liquids. However, the GK method relies on an ambiguous definition of the…
In computing electric conductivity based on the Kubo formula, the vertex corrections describe such effects as anisotropic scattering and quantum interference and are important to quantum transport properties. These vertex corrections are…