The molecular spin filter constructed from 1D organic chain

We proposed a molecular spin filter, which is constructed from the 1D metallic organic chain (Fen+1(C6H4)n). The spin-polarized transport properties of the molecular spin filter are explored by combining density functional theory with nonequilibrium Green's function formalism. Theoretical results reveal that Fen+1(C6H4)n molecular chain exhibits robust spin filtering effect, and only the spin-down electrons can transmit through the molecular chain. At the given bias voltage window [−1 eV,1 eV], the calculated spin filter efficiency is close to 100% in the case of n≥3. We find that the effect of spin polarization origin from both Fen+1 and (C6H4)n. In addition, negative difference resistance behavior appears in Fen+1(C6H4)n molecular chain. The results can help us understand the spin transport properties of organic molecular chain.