相关论文: Electron transport across a metal-organic interfac…

In ultra-thin two-dimensional (2-D) materials, the formation of ohmic contacts with top metallic layers is a challenging task that involves different processes than in bulk-like structures. Besides the Schottky barrier height, the transfer…

We explore electron transport properties for the model of benzene-1, 4-dithiolate (BDT) molecule and for some other geometric models of benzene molecule attached to two semi-infinite one-dimensional metallic electrodes using the Green's…

We study the electron transport through the quantum dot coupled to the normal metal and BCS-like superconductor (N - QD - S) in the presence of the Kondo effect and Andreev scattering. The system is described by the single impurity Anderson…

Using the tight-binding model and the generalized Green's function formalism, the effect of quantum interference on the electron transport through the benzene molecule in a semiconductor/benzene/semiconductor junction is numerically…

We propose a model to explore the dynamics of spin-systems coupled by exchange interaction to the conduction band electrons of a semiconductor material that forms the channel in a ferromagnet/semiconductor/ferromagnet spin-valve structure.…

A quantum theory of the spin-dependent scattering of semiconductor electrons by a Schottky barrier at an interface with a ferromagnet is presented. The reflection of unpolarized non-equilibrium carriers produces spontaneous…

We have studied the finite bias transport properties of a 2H-1T' MoS$_2$ lateral metal-semiconductor (M-S) junction by non-equilibrium Green's functions calculations, aimed at contacting the 2D channel in a field effect transistor. Our…

Electronic properties of heterostructures in which a finite number of Mott-insulator layers are sandwiched by semi-infinite metallic leads are investigated by using the dynamical-mean-field method combined with the Keldysh Green's function…

Transport properties of 2D materials especially close to their boundary has received much attention after the successful fabrication of graphene and other fascinating materials afterwards. While most previous work is devoted to the…

While the vast majority of calculations reported on molecular conductance have been based on the static non-equilibrium Green's function formalism combined with density functional theory, in recent years a few time-depedent approaches to…

The electronic transport properties and switching mechanism of single photochromic diarylethene derivatives sandwiched between two gold surfaces with closed and open configurations are investigated by a fully self-consistent nonequilibrium…

The electrical behavior of Ni Schottky barrier formed onto heavily doped (ND>1019 cm-3) n-type phosphorous implanted silicon carbide (4H-SiC) was investigated, with a focus on the current transport mechanisms in both forward and reverse…

We present a generalized approach for computing electron conductance and I-V characteristics in multiterminal junctions from first-principles. Within the framework of Keldysh theory, electron transmission is evaluated employing an O(N)…

We propose a phenomenological description of electronic transport through a normal metal/superconductor interface of arbitrary transparency, which accounts for the presence of electron-electron interaction in the normal metal. The effect of…

In our theoretical study where we combine a nonequilibrium Green's function (NEGF) approach with density functional theory (DFT) we investigate compounds containing a ferrocene moiety which is connected to i) thiol anchor groups on both…

We present first principles study of thermoelectric transport properties of sandwiched heterostructure of Graphene (G)/hexagonal Boron Nitride (BN)/G, based on Boltzmann transport theory for band electrons using the bandstructure calculated…

We study the low-energy single-electron transport across a junction of two magnetic Weyl semimetals, in which the anisotropy axes are tilted one respect to the other. Using a two-band model with a potential step, we compute the transmission…

Non-equilibrium Green's functions (NEGF) formalism combined with extended Huckel (EHT) and charging model are used to study electrical conduction through single-molecule junctions. Analyzed molecular complex is composed of asymmetric…

We study energy transport in a system of two dimensional conformal field theories exchanging energy across a non-conformal interface involving a localised scalar operator, using holographic duality. By imposing the sourceless boundary…

We investigate the molecular acceptors 3,4,9,10-perylene-tetracarboxylic acid dianhydride (PTCDA), 2,3,5,6-tetra uoro-7,7,8,8-tetracyanoquinodimethane (F4TCNQ), and 4,5,9,10-pyrenetetraone (PYTON) on Ag(111) using densityfunctional theory.…