相关论文: Highly conductive and complete spin filtering of n…
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 low conductance of nickel atomic junctions in the hydrogen environment is studied using the nonequilibrium Green's function theory combined with first-principles calculations. The Ni junction bridged by a $H_2$ molecule has a…
Spin-polarized transport is investigated in normal metal-superconductor (NS) junctions as a function of interface transmissivity as well as temperature when the density of states of a superconductor is Zeeman-split in response to an…
In this thesis we study electron transport through magnetic nanocontacts and nanowires with ab initio quantum transport calculations. The aim is to gain a thorough understanding of the interplay between electrical conduction and magnetism…
We demonstrate that due to their spin-orbit interaction carbon nanotube cross-junctions have attractive spin projective properties for transport. First, we show that the junction can be used as a versatile spin filter as a function of a…
Density functional theory and nonequilibrium Green's function calculations have been used to explore spin-resolved transport through the high-spin state of an iron(II)sulfur single molecular magnet. Our results show that this molecule…
We report on spin transport along double-helical molecular systems by considering various contact configurations and asymmetries between the two helical strands in the regime of completely coherent charge transport. Our results reveal that…
One of the important issues of molecular spintronics is the control and manipulation of charge transport and, in particular, its spin polarization through single-molecule junctions. Using $ab$ $initio$ calculations, we explore…
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…
Control and manipulation of electric current and, especially, its degree of spin polarization (spin filtering) across single molecules are currently of great interest in the field of molecular spintronics. We explore one possible strategy…
High spin polarization materials or spin filters are key components in spintronics, a niche subfield of electronics where carrier spins play a functional role. Carrier transmission through these materials is "spin selective" i.e. these…
We investigated spin-resolved electronic transport through a junction composed of a nonmagnetic metal electrode and a zigzag carbon nanotube by means of self-consistent Green's function method in the tight binding approximation and the…
We consider theoretically transport in a spinfull one-channel interacting quantum wire placed in an external magnetic field. For the case of two point-like impurities embedded in the wire, under a small voltage bias the spin-polarized…
We undertook an ab-initio study of hexagonal boron nitride (hBN) sandwiched between Ni(111) layers to examine the interface of this material structure. We considered Ni(111)/hBN/Ni(111) with a slab with three Ni atomic layers to determine…
Half-metallic Heusler alloy compounds with Curie temperatures above room temperature are suitable candidate electrode materials for injecting large spin-polarised charge carriers into the semiconducting barriers at the ferromagnet…
We study the two-terminal transport properties of a metallic single-walled carbon nanotube with good contacts to electrodes, which have recently been shown [W. Liang et al, Nature 441, 665-669 (2001)] to conduct ballistically with weak…
We present a theoretical study, based on density functional theory and tight binding modeling, of the electronic structure and spin transport properties of silicon nanoparticles with adsorbed bismuth atoms. We find the bismuth atoms to form…
Recently, different experiments on the transport through atomic-sized contacts made of ferromagnetic materials have produced contradictory results. In particular, several groups have reported the observation of half-integer conductance…
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…
We study contact effects on electron transport across a molecular wire sandwiched between two semi-infinite (carbon) nanotube leads as a model for nanoelectrodes. Employing the Landauer scattering matrix approach we find that the…