相关论文: Current-induced energy barrier suppression for ele…
We demonstrate an efficient nonequilibrium Green's function transport calculation procedure based on the real-space finite-difference method. The direct inversion of matrices for obtaining the self-energy terms of electrodes is…
In the present work, we theoretically analyze the steady-state thermoelectric transport through a single-molecule junction with a vibrating bridge. Thermally induced charge current in the system is explored using a nonequilibrium Green's…
We study the energy transport in a system of two half-infinite XXZ chains initially kept separated at different temperatures, and later connected and let free to evolve unitarily. By changing independently the parameters of the two halves,…
We present a novel ab initio non-equilibrium approach to calculate the current across a molecular junction. The method rests on a wave function based description of the central region of the junction combined with a tight binding…
Using non-equilibrium Green's functions combined with many-body perturbation theory, we have calculated steady-state densities and currents through short interacting chains subject to a finite electric bias. By using a steady-state…
Nanocomposites are promising candidates for the next generation of thermoelectric materials since they exhibit extremely low thermal conductivities as a result of phonon scattering on the boundaries of the various material phases. The…
We derive and employ a semi-classical Langevin equation obtained from path-integrals to describe the ionic dynamics of a molecular junction in the presence of electrical current. The electronic environment serves as an effective…
We report the observation and micromagnetic analysis of current-driven magnetization switching in nanoscale ring-shaped magnetic tunnel junctions. When the electric current density exceeds a critical value of the order of $6\times…
The thermoelectric power factor of hierarchically nanostructured materials is investigated using the nonequilibrium Greens function method for quantum transport, including interactions of electrons with acoustic and optical phonons. We…
We present an analysis of the transient electronic and transport properties of a nanojunction in the presence of electron-electron and electron-phonon interactions. We introduce a novel numerical approach which allows for an efficient…
We developed the theory of elastic electron tunneling through a potential barrier driven by a strong high-frequency electromagnetic field. It is demonstrated that the driven barrier can be considered as a stationary two-barrier potential…
Using the tight-binding approach we study the electronic transport in a $\mathrm{MoS}_2$ zigzag ribbon with a spatially varying potential profile. Considering a ribbon with a smooth potential step in the Fermi energy regime where 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 present a combined theoretical approach to study the nonequilibrium transport properties of nanoscale systems coupled to metallic electrodes and exhibiting strong electron-phonon interactions. We use the Keldysh Green function formalism…
We develop a non-equilibrium Green's function formalism to study magnonic spin transport through a strongly anisotropic ferromagnetic insulator contacted by metallic leads. We model the ferromagnetic insulator as a finite-sized…
We report on the application of a feedback-controlled electromigration technique for the formation of nanometer-sized gaps in mesoscopic gold wires and rings. The effect of current density and temperature, linked via Joule heating, on the…
The effect of nonconservative current-induced forces on the ions in a defect-free metallic nanowire is investigated using both steady-state calculations and dynamical simulations. Non-conservative forces were found to have a major influence…
An accurate expression of the kinetic energy density of an electronic distribution in terms of the single particle reduced density matrix for atomic and molecular systems is a long-standing problem in electron structure theory. Existing…
We investigate transport properties of junctions between two spin-split superconductors linked by a spin-polarized tunneling barrier. The spin-splitting fields in the superconductors (S) are induced by adjacent ferromagnetic insulating (FI)…
We present density-functional-theory calculations which provide a microscopic picture of the recombination-enhanced migration of interstitial Mg in GaN. We determine stable structures and migration pathways with accurate HSE approximation…