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• W2107111501 abstract "In this paper, using first-principles calculations the electronic and magnetic structure of trans- and cis-polyacetylene based magnetic tunnel junctions is investigated. Energy minimization calculations are performed to obtain the equilibrium bonding length at the metal/polymer interfaces. Magnetic proximity-induced spin polarization across the polymeric chains is calculated and it is shown that irrespective of the parallel or anti-parallel magnetic configuration of the electrodes the carbon atoms attaching the Fe electrodes get oppositely polarized. Local density of states calculations reveal that, as a result of being attached to the ferromagnetic leads, states are induced in the energy gap region of molecule's p x and p y orbitals which infers their contribution in electronic transmission of the device." @default.
• W2107111501 created "2016-06-24" @default.
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• W2107111501 date "2013-10-24" @default.
• W2107111501 modified "2023-09-30" @default.
• W2107111501 title "FIRST-PRINCIPLES CALCULATION OF MAGNETO-ELECTRONIC STRUCTURE OF MOLECULE-FERROMAGNET HYBRID TUNNEL JUNCTIONS" @default.
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• W2107111501 doi "https://doi.org/10.1142/s0217984913502059" @default.
• W2107111501 hasPublicationYear "2013" @default.
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