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• W2461571520 abstract "We generalize the recently proposed steady-state density functional theory (SS-DFT) to spin-dependent cases and theoretically investigate the electronic and transport properties of a Mn-phthalocyanine molecule sandwiched between two graphene nanoribbon leads. The junction filters spin-up (minority spin) electrons while allowing spin-down (majority spin) electrons to pass with a filtering efficiency of about 99.5% at low biases. The spin-down electrons are found to tunnel through the junction via the HOMO orbital of the Mn-phthalocyanine molecule. Detailed analysis of the spin-dependent electron tunneling mechanism as well as the electronic/magnetic properties of the junction is presented." @default.
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• W2461571520 date "2016-12-01" @default.
• W2461571520 modified "2023-09-24" @default.
• W2461571520 title "Spin-dependent electron transport through a Mn-phthalocyanine molecule — A steady-state density functional theory (SS-DFT) study" @default.
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• W2461571520 doi "https://doi.org/10.1139/cjc-2016-0280" @default.
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