Related papers: Non-equilibrium transport through a disordered mol…
In this paper, thermal transport in bond-disordered harmonic chains is revisited in detail using a nonequilibrium Green's function formalism. For strong bond disorder, thermal conductivity is independent of the system size. However, kinetic…
It is demonstrated that non-equilibrium vibrational effects are enhanced in molecular devices for which the effective potential for vibrations is sensitive to the charge state of the device. We calculate the electron tunneling current…
Harnessing the quantum coherence and tunability of molecular-scale structures, we theoretically explore thermoelectric transport in ring-shaped molecular junctions featuring dimerized hopping integrals. By engineering alternating strong and…
We simulate the electronic and transport properties of metal/two-dimensional material/metal vertical heterostructures, with a focus on graphene, hexagonal boron nitride and two phases of molybdenum diselenide. Using density functional…
One-dimensional nanowires with strong spin-orbit coupling and proximity-induced superconductivity are predicted to exhibit topological superconductivity with condensed-matter analogues to Majorana fermions. Here, the nonequilibrium Green's…
We study the spreading of initially localized excitations in 1D disordered granular crystals. We thereby investigate localization phenomena in strongly nonlinear systems, which we demonstrate to be fundamentally different from localization…
Quenched disorder in a solid state system can result in Anderson localization, where electrons are exponentially localized and the system behaves like an insulator. By solving exactly a disordered electronic lattice model out of…
Understanding how the vibrational and thermal properties of solids are influenced by atomistic structural disorder is of fundamental scientific interest, and paramount to designing materials for next-generation energy technologies. While…
Effects of relative orientation of the molecules on electron transport in molecular devices are studied by non-equilibrium Green's function method based on density functional theory. In particular, two molecular devices, with the planer…
We consider a quantum dot, affected by a local vibrational mode and contacted to macroscopic leads, in the non-equilibrium steady-state regime. We apply a variational Lang-Firsov transformation and solve the equations of motion of the Green…
Nonequilibrium quantum transport is of central importance in nanotechnology. Its description requires the understanding of strong electronic correlations, which couple atomic-scale phenomena to the nanoscale. So far, research in correlated…
This paper aims to investigate the spin dependent transport properties in hybrid nanoribbons, using the non equilibrium Greens function method. The effects of temperature gradient between the left and right leads, the ferromagnetic exchange…
We develop a general framework for studying the equilibrium and non-equilibrium properties of arbitrary networks of Sachdev-Ye-Kitaev clusters coupled to thermal baths. We proceed to apply this technique to the problem of energy transport,…
We develop a consistent method for calculating non-equilibrium Green's functions for a nano-sized dot coupled to electron reservoirs by tunneling. The leads are generally at different chemical potentials (non-equilibrium), and the dot may…
We study the transport properties of two electrons in a quasi one-dimensional disordered wire. The electrons are subject to both, a disorder potential and a short range two-body interaction. Using the approach developed by Iida et al. […
Charge transport in organic semiconductors is notoriously extremely sensitive to the presence of disorder, both internal and external (i.e. related to the interactions with the dielectric layer), especially for n-type materials. Internal…
The description of electron-electron interactions in transport problems is both analytically and numerically difficult. Here we show that a much simpler description of electron transport in the presence of interactions can be achieved in…
Semiconductor-superconductor hybrid systems provide a promising platform for hosting unpaired Majorana fermions towards the realisation of fault-tolerant topological quantum computing. In this study, we employ the Keldysh Non-Equilibrium…
We study the electronic structure and transport properties of zigzag and armchair monolayer molybdenum disulfide nanoribbons using an 11-band tight-binding model that accurately reproduces the material's bulk band structure near the band…
Vibronic effects in resonant electron transport through single-molecule junctions are analyzed. The study is based on generic models for molecular junctions, which include electronic states on the molecular bridge that are vibrationally…