Related papers: Non-equilibrium Green's function based single-band…
Magnetic tunnel junctions (MTJs) are key components of spintronic devices, such as magnetic random-access memories. Normally, MTJs consist of two ferromagnetic (FM) electrodes separated by an insulating barrier layer. Their key functional…
We develop a theoretical framework to determine distribution functions in nonequilibrium systems coupled to equilibrium reservoirs, by using the nonequilibrium Green's function technique. As a paradigmatic example, we consider the…
Inelastic effects in electron transport through nano-sized devices are addressed with a method based on nonequilibrium Green's functions (NEGF) and perturbation theory to infinite order in the electron-vibration coupling. We discuss the…
Monolayer transition metal dichalcogenides $MX_2$ ($M$ = Mo,W and $X$ = Te, Se, S) in 1T' structure were predicted to be quantum spin Hall insulators based on first-principles calculations, which were quickly confirmed by multiple…
Strength of the the symmetry spin filtering effect (as defined by the asymptotic behavior of the tunneling magnetoresistance (TMR) at large barrier thicknesses induced by this effect) is studied for the Fe/MgO/Fe magnetic tunnel junctions…
The electronic structure of bulk fcc GaAs, fcc and tetragonal CrAs, and CrAs/GaAs supercells, computed within LMTO local spin-density functional theory, is used to extract the band alignment (band offset) for the [1,0,0] GaAs/CrAs interface…
We study the effect of image potential on spin polarized transport through Fe/MgO/Fe magnetic tunnel junctions in the presence of symmetry filtering. The image potential is included within the Simmon's model coupled with the non-equilibrium…
We developed a parametrization of transmission probability that reliably captures essential elements of the tunneling process in magnetic tunnel junctions. The electronic structure of Fe/MgO system is calculated within the quasiparticle…
We explore multi-terminal quantum transport through a benzene molecule threaded by an Aharonov-Bohm flux $\phi$. A simple tight-binding model is used to describe the system and all the calculations are done based on the Green's function…
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 time-dependent electronic and spin transport through an electronic level connected to two leads and coupled with a single-molecule magnet via exchange interaction. The molecular spin is treated as a classical variable and precesses…
Within a phonon-assisted resonance level model we develop a self-consistent procedure for calculating electron transport currents in molecular junctions with intermediate to strong electron-phonon interaction. The scheme takes into account…
Two-dimensional van der Waals (vdW) ferromagnetic/semiconductor heterojunctions represent an ideal platform for studying and exploiting tunneling magnetoresistance (TMR) effects due to the versatile band structure of semiconductors and…
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…
An important consequence of the discovery of giant magnetoresistance in metallic magnetic multilayers is a broad interest in spin dependent effects in electronic transport through magnetic nanostructures. An example of such systems are…
We theoretically study the spin-dependent transport in a ferromagnet/super- conductor/ferromagnet double tunnel junction. The tunneling current in the antiferromagnetic alignment of the magnetizations gives rise to a spin imbalance in the…
We present a systematic first-principles investigation of linear-response spin-dependent quantum transport in the van der Waals ferromagnets Fe$_3$GeTe$_2$, Fe$_4$GeTe$_2$, Fe$_5$GeTe$_2$, and Fe$_3$GaTe$_2$. Using density functional theory…
The phenomenon of spin transfer torque (STT) has attracted a great deal of interests due to its promising prospects in practical spintronic devices. In this paper, we report a theoretical investigation of STT in a noncollinear magnetic…
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…
The electronic structure and spin-dependent tunneling in epitaxial Fe/MgO/Fe(001) tunnel junctions are studied using first-principles calculations. For small MgO barrier thickness the minority-spin resonant bands at the two interfaces make…