We present ab initio studies of spin-polarized transport properties and thermospin effects in cyclopentadienyl-iron molecular junctions. It is found that the spin-up transmission coefficient at the Fermi level shows an odd-even oscillating behaviour, while the spin-down transmission coefficient has an exponential decay with the molecule length. The spin polarization at the Fermi level rapidly tends toward a saturation value close to 100% with the molecule length. This is ascribed to the existence of different orbital states for different spin components at the Fermi level. In addition, we find that the spin-up Seebeck coefficient oscillates between positive and negative values, while the spin-down Seebeck coefficient always has a positive value and monotonically increases with the molecule length. Therefore in some cases, the spin Seebeck coefficient is even larger than the corresponding charge Seebeck effect. Finally, we also provide a possibility of utilizing cyclopentadienyl-iron molecular junctions to achieve the pure spin current without an accompanying charge current at about room temperature.
We report a first-principles study of the magnetic properties and spin caloritronics of zigzag-type blue phosphorene nanoribbons (zBPNRs). It is found that the bare zBPNR (0H-zBPNR) or monohydrogenated zBPNR (1H-zBPNR) exhibit spin-semiconducting properties arising from the edge electronic states. We further confirm that the py orbitals of the edge P atoms have the main contributions to these states. The spin-semiconducting property has a natural advantage for fabricating perfect thermospin devices with a stronger spin Seebeck effect than charge Seebeck effect at the Fermi level. When a temperature difference is applied, the electric current with the different spin index displays a bipolar behavior, and the spin-filtering efficiency can reach 1200%. By changing the widths of 0H-zBPNR and 1H-zBPNR, the ratio of the spin Seebeck coefficient to the charge Seebeck coefficient at the Fermi level is about 10 at room temperature.
Based on the nonequilibrium Green's function (NEGF) method combined with density functional theory (DFT), we investigate the spin-dependent thermoelectric transport properties of zigzag-edged silicene nanoribbons (ZSiNRs) doped by an Al–P bonded pair at different edge positions.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.