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- W2007490698 abstract "Properties of one-dimensional sandwich-like organometallic wires, [TM2(Ant)]∞, constructed with transition metals (TM = Sc, Ti, V, Cr, Mn, and Fe) and anthracene (Ant = C14H10) are systematically investigated by first-principles calculations. Our results show that the properties of [TM2(Ant)]∞ are mainly determined by charge transfer and the magnetic properties in [TM2(Ant)]∞ are much more diverse than those in [TM(Bz)]∞ due to the fact that HOMO-LUMO gap of Ant is much smaller than that of benzene (Bz = C6H6). In particular, [V2(Ant)]∞ and [Cr2(Ant)]∞ are found to be half-metallic ferromagnets, indicating that they are better than [TM(Bz)]∞ for spintronic devices due to high conductivity and stability. Furthermore, because the HOMO-LUMO gap of graphene flakes decreases with increasing size, the charge transfer effect may also manifest in sandwich-like wires based on graphene flakes and TM, which are also proposed to be potential candidates for spin transport." @default.
- W2007490698 created "2016-06-24" @default.
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- W2007490698 date "2013-07-15" @default.
- W2007490698 modified "2023-10-16" @default.
- W2007490698 title "Ferromagnetic sandwich-like wires constructed with transition metals and anthracene" @default.
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- W2007490698 doi "https://doi.org/10.1063/1.4813547" @default.
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