Spin-Dependent Transport Properties of a Phenylene Rotor Bridging Carbon Chains Between Graphene Electrodes
Year: 2018
Communications in Computational Physics, Vol. 23 (2018), Iss. 3 : pp. 781–794
Abstract
We study the spin-dependent electron transport by using ab initio calculations for a molecular junction consisting of a phenylene capped by two carbon chains which is sandwiched between two zigzag-edged graphene nanoribbon (ZGNR) electrodes modulated by external magnetic fields or ferromagnets. It is shown that the spin-charge transport can be adjusted by the phenylene rotation angles in respect to ZGNR electrodes and spin orientation in electrodes. Specifically, we demonstrate that the proposed molecular device exhibits switching, (dual) spin-filtering, rectifying, negative differential resistance (NDR) effects. Interestingly, when the phenylene rotation angle is θ=60◦, the maximum value of the peak-to-valley ratio of NDR is up to 26, the spin-resolved rectification ratio can reach up to 2.47×104, and the spin filtering efficiency reaches up to 100%. The physical mechanisms of these effects are analyzed via the spin-resolved transmission spectrum associated with local density of states (LDOS) and molecular projected self-consistent Hamiltonian (MPSH) eigenvalues.
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Journal Article Details
Publisher Name: Global Science Press
Language: English
DOI: https://doi.org/10.4208/cicp.OA-2017-0062
Communications in Computational Physics, Vol. 23 (2018), Iss. 3 : pp. 781–794
Published online: 2018-01
AMS Subject Headings: Global Science Press
Copyright: COPYRIGHT: © Global Science Press
Pages: 14
Keywords: ab initio calculations spin-dependent transport all-carbon molecular device.