Related papers: Correlated electron-phonon transport from molecula…
Electron transport characteristics through molecular wires are studied by using the Green's function formalism. Parametric calculations are performed based on the tight-binding model to investigate the transport properties through the…
Quantum phonon transport through benzene and alkane chains amide-linked with single wall carbon nanotubes (SWCNTs) is studied within the level of density functional theory. The force constant matrices are obtained from standard quantum…
Ballistic transport of electrons through a quantum wire with a constriction is studied in terms of Bohm's interpretation of quantum mechanics, in which the concept of a particle orbit is permitted. The classical bouncing ball trajectories,…
We describe coupled electron-phonon systems semiclassically - Ehrenfest dynamics for the phonons and quantum mechanics for the electrons - using a classical Monte Carlo approach that determines the nonequilibrium response to a large pump…
A tunable quantum point contact with modes occupied in both transverse directions is studied by magnetotransport experiments. We use conductance quantization of the one-dimensional subbands as a tool to determine the mode spectrum. A…
The conductance through a molecular device including electron-electron and electron-phonon interactions is calculated using the Numerical Renormalization Group method. At low temperatures and weak electron-phonon coupling the properties of…
A linear theory of electron transport is developed for a system of two ideal quantum wires, of length L, coupled by tunneling and Coulomb interaction. The interaction of electrons with acoustical phonons is included and the results are…
Nonequilibrium Greens function techniques (NEGF) combined with density functional theory (DFT) calculations have become a standard tool for the description of electron transport through single molecule nanojunctions in the coherent…
We aim to provide engineers with an introduction to the non-equilibrium Green's function (NEGF) approach, which provides a powerful conceptual tool and a practical analysis method to treat small electronic devices quantum mechanically and…
In conductors with a very small density of defects, electrons at low temperatures collide predominantly with the edges of a sample. Therefore, the ballistic regime of charge and heat transport is realized. The application of a perpendicular…
Thermal transport in low-dimensional semiconductors is crucial for advancing thermal management in nanoelectronics, quantum devices, and thermoelectric devices. Recent molecular dynamics (MD) studies have identified a nonmonotonic…
An exact Quantum Kinetic Monte Carlo method is proposed to calculate electron transport for 1D Fermi Hubbard model. The method is directly formulated in real time and can be applied to extract time dependent dynamics of general interacting…
The electron transport properties of a four-terminal molecular device are computed within the framework of density functional theory and non-equilibrium Keldysh theory. The additional two terminals lead to new properties, including a…
We develop a linear theory of electron transport for a system of two identical quantum wires in a wide range of the wire length L, unifying both the ballistic and diffusive transport regimes. The microscopic model, involving the interaction…
Non-diffusive, fluid-like transport of charge and heat has been observed in several materials, raising the question of whether they can emerge simultaneously and how they are related to bi-component electron-phonon fluids. Here we introduce…
We theoretically analyzed inelastic effects in the electron transport through molecular junctions originating from electron-vibron interactions. The molecular bridge was simulated by a periodic chain of identical interacting hydrogen-like…
In this more pedagogical study we want to elucidate on stochastic aspects inherent to the (non-)equilibrium real time Green's function description (or `closed time path Green's function' -- CTPGF) of transport equations, the so called…
Modeling of thermal transport in practical nanostructures requires making trade-offs between the size of the system and the completeness of the model. We study quantum heat transfer in a self-consistent thermal bath setup consisting of two…
To investigate the effect of quantum coherence on electronic energy transfer, which is the subject of current interest in photosynthesis, we solve the problem of transport for the simplest model of an aggregate of monomers interacting…
We consider the impact of quantum effects on electron dynamics in a plane linearly polarized standing wave with relativistic amplitudes. For this purpose analysis the Lyapunov characteristic exponent spectrum with and without allowance for…