Modeling of electrotransport properties of Li-intercalated graphene film

In this work, within the framework of density functional theory combined with the method of nonequilibrium Green’s functions the density of states, transmission spectrum, current-voltage characteristics, and differential conductivity of Li-intercalated graphene (LiC6) have been determined. It is shown that in the energy range of -1.3÷-1.05 eV the quasiparticle transport through the nanostructure is disable. The features of IV- and dI/dV-characteristics of LiC6 in the form of decreasing of resistance in the range of -0.4÷0.4 V were revealed, and in the interval of 0.4÷1.4 V formation of negative differential resistance area, related to scattering of quasiparticles. It is established, that LiC6 nanodevice has 12÷13 ballistic channels and has the maximum amount of conductance 12÷13G0 , where Go is the conductance quantum.

Nonlocal Collision Integral

The kinetic equation with the nonlocal shifts is presented as the final result on the way to derive the kinetic equation with nonlocal corrections. The exclusive dependence of the nonlocal and non-instant corrections on the scattering phase shift confirms the results from the theory of gases. With the approximation on the level of the Brueckner reaction matrix, the corresponding non-instant and nonlocal scattering integral in parallel with the classical Enskog’s equation, can be treated with Monte-Carlo simulation techniques. Neglecting the shifts, the Landau theory of quasiparticle transport appears. In this sense the presented kinetic theory unifies both approaches. An intrinsic symmetry is found from the optical theorem which allows for representing the collision integral equivalently either in particle-hole symmetric or space-time symmetric form.