Abstract
Using density functional theory and nonequilibrium Green’s function method, we construct organometallic nanowires that consist of Fe or V atoms sandwiched between composite molecules (Cp*FeCp*, where Cp* is C5(CH3)5). For the first time, we demonstrate that half-metallicity, negative differential resistance, and sign-reversible high spin-filter capability can coexist remarkably in one organometallic nanowire (FeCp* wire). This renders FeCp* wire promising in electronics and spintronics.
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