Related papers: Near-perfect spin filtering and negative different…
Electronic transport through a single-molecule magnet Mn$_{12}$ in a two-terminal set up is calculated using the non-equilibrium Green's function method in conjunction with density-functional theory. A single-molecule magnet Mn$_{12}$ is…
Spin dependent transport has been investigated for an {\it open shell singlet} diiron-oxo cluster. Currents and magnetoresistances have been studied, as a function of spin state, within the non-equilibrium Green's function approach. The…
We demonstrate a new class of molecules for exceptional performance in molecular electronics and spintronics. Phenalenyl-based radicals are stable radicals whose electronic properties can be tuned readily by heteroatom substitution. We…
Generating efficient and highly spin-polarized currents through nanoscale junctions is essential in the field of nanoelectronics and spintronics. In this paper, using $ab$ $initio$ electron transport calculations, we predict highly…
Obtaining highly spin-polarized currents in molecular junctions is crucial and desirable for nanoscale spintronics devices. Motivated by our recent symmetry-based theoretical argument for complete blocking of one spin conductance channel in…
The spin filter capability of a (0,8) armchair graphene nanoribbon with Fe atoms at substitutional sites is investigated by density functional theory in combination with the non-equilibrium Greens function technique. For specific…
The effect of chemical doping on the ZSiNRs with Mn as passivating element replacing H atoms at one edge are investigated by first principles calculations.The structures optimized in the typical ferromagnetic and antiferromagnetic coupling…
Metallorganic molecules have been proposed as excellent spin filters in molecular spintronics because of the large spin-polarization of their electronic structure. However, most of the studies involving spin transport, have disregarded…
Using first-principles calculations based on density functional theory and the nonequilibrium Green function formalism, we studied the spin transport through metal-phthalocyanine (MPc, M=Ni, Fe, Co, Mn, Cr) molecules connected to aurum…
We investigate the spin transport properties of molecules belonging to the acenes series by using density functional theory combined with the non-equilibrium Green's function approach to electronic transport. While short acenes are found to…
Spin-dependent electronic transport properties of Fe-terminated zig-zag graphene nanoribbons (zGNR) have been studied using first-principles transport simulations. The spin configuration of proposed zGNR junction can be controlled with…
Polynuclear magnetic molecules often present dense transmission spectra with many overlapping conduction spin channels. Single-metal complexes display a sparser density of states, which in the presence of a fixed external magnetic field…
By using non-equilibrium Green's function (NEGF) method and tight-binding (TB) approximation, we investigated a perfect control on spin transport in a zigzag $\alpha^{\prime}$-boron nanoribbon ($\alpha^{\prime}$-BNR) as the must…
Spin-disorder resistivity of Fe and Ni is studied using the noncollinear density functional theory. The Landauer conductance is averaged over random disorder configurations and fitted to Ohm's law. The distribution function is approximated…
Nitrogen-doped carbon nanotubes can provide reactive sites on the porphyrin-like defects. It's well known that many porphyrins have transition metal atoms, and we have explored transition metal atoms bonded to those porphyrin-like defects…
Using Density functional theory and non-equilibrium Green's function formalism, spin dependent electron transport in Fe/Mo$_x$Cr$_{1-x}$S$_2$/Fe magnetic tunnel junction is studied. Spin transport for different thicknesses (1, 3, 5, and 7…
A spin metal-oxide-semiconductor field-effect-transistor (spin MOSFET), which combines a Schottky-barrier MOSFET with ferromagnetic source and drain contacts, is a promising device for spintronic logic. Previous simulation studies predict…
The experimental observation of the Dirac fermion states in $\beta_{12}$-borophene sheets and the discovery of their novel topological properties properties have made them a promising candidate for spintronic applications. Here, by…
We compute the zero bias conductance of electrons through a single ballistic channel weakly coupled to a side quantum dot with Coulomb interaction. In contrast to the standard setup which is designed to measure the transport through the…
We study the spin-dependent transport through a quantum dot coupled to two ferromagnetic electrodes using the equation of motion method for the nonequilibrium Green's functions. Our results show that the conductance and the density of…