Related papers: Current partition: Nonequilibrium Green's function…
We generalize the representation of the real time Green's functions introduced by Langreth and Nordlander [Phys. Rev. B 43 2541 (1991)] and Meir and Wingreen [Phys. Rev. Lett. 68 2512 (1992)] in stationary quantum transport in order to…
A self-consistent method for calculating electron transport through a molecular device is proposed. It is based on density functional theory electronic structure calculations under periodic boundary conditions and implemented in the…
The equilibration of two coupled reservoirs is studied using a Green function approach which is suitable for future development with the closed time path method. The problem is solved in two parameterizations, in order to demonstrate the…
Electronic transport properties through some model quantum systems are re-visited. A simple tight-binding framework is given to describe the systems where all numerical calculations are made using the Green's function formalism. First, we…
We address frequency-dependent quantum transport through mesoscopic conductors in the semiclassical limit. By generalizing the trajectory-based semiclassical theory of dc quantum transport to the ac case, we derive the average screened…
We study charge transport in a source-channel-drain system with a time-varying applied gate potential acting on the channel. We calculate both the current flowing from the source into the channel and out of the channel into the drain. The…
We present an ongoing development of an existing code for calculating ground-state, steady-state, and transient properties of many-particle systems. The development involves the addition of the full four-index two electron integrals, which…
We study the equilibrium and nonequilibrium electronic transport properties of multiprobe topological systems using a combination of the Landauer-B\"uttiker approach and nonequilibrium Green's functions techniques. We obtain general…
It is shown that the nonequilibrium steady-state of a phase-coherent conductor can be described by a generalized thermodynamic potential based on the concept of partial densities of states. This is possible due to the fact that dissipation…
This review deals with the nonequilibrium Green's function (NEGF) method applied to the problems of energy transport due to atomic vibrations (phonons), primarily for small junction systems. We present a pedagogical introduction to the…
Starting from a general classical model of many interacting particles we present a well defined step by step procedure to derive the continuum-mechanics equations of nonlinear elasticity theory with fluctuations which describe the…
Recently, multiferroic tunnel junctions (MFTJs) have gained significant spotlight in the literature due to its high tunneling electro-resistance together with its non-volatility. In order to analyze such devices and to have insightful…
The thermal conductivity of classical multi-component fluids is seemingly affected by the intrinsic arbitrariness in the definition of the atomic energies and it is ill-conditioned numerically, when evaluated from the Green-Kubo theory of…
The persistent current in a mesoscopic ring has a Gaussian distribution with small non-Gaussian corrections. Here we report a semiclassical calculation of the leading non-Gaussian correction, which is described by the three-point…
This chapter of "The Oxford Handbook of Nanoscience and Technology: Frontiers and Advances" reviews nonequilibrium Green function (NEGF) approach to modeling spin current generation, transport, and detection in semiconductor nanostructures…
The coupling of the charge carriers passing through a molecule bridging two bulky conductors with local vibrational modes of the molecule, gives rise to distinct features in the electronic transport properties on one hand, and to…
The quasi-stationary nonequilibrium distribution function of an independent electron gas interacting with a medium, which is at local thermal equilibrium, can be obtained by entropy production rate minimization, subject to constraints of…
Following up on the recently published circuit theory for thermodynamic devices, we consider networks of Thermo-Electric Converters (TECs) in stationary non-equilibrium. Assuming constant thermoelectric properties, the integration over a…
We give the explicit structure of the functional governing the dynamical density and current fluctuations for a mesoscopic system in a nonequilibrium steady state. Its canonical form determines a generalised Onsager-Machlup theory. We…
We present a multiprobe recursive Green's function method to compute the transport properties of mesoscopic systems using the Landauer-B\"uttiker approach. By introducing an adaptive partition scheme, we map the multiprobe problem into the…