Iron-phthalocyanine molecular junction with high spin filter efficiency and negative differential resistance
We investigate the spin transport properties of iron-phthalocyanine (FePc) molecule sandwiched between two N-doped graphene nanoribbons (GNRs) based on the density functional theory and nonequilibrium Green's function methods. Our calculated results clearly reveal that the FePc molecular juncti...
| المؤلفون الرئيسيون: | , , , , , , |
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| مؤلفون آخرون: | |
| التنسيق: | Journal Article |
| اللغة: | English |
| منشور في: |
2013
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| الموضوعات: | |
| الوصول للمادة أونلاين: | https://hdl.handle.net/10356/95241 http://hdl.handle.net/10220/9314 |
| الملخص: | We investigate the spin transport properties of iron-phthalocyanine (FePc) molecule sandwiched between two N-doped graphene nanoribbons (GNRs) based on the density functional theory and nonequilibrium Green's function methods. Our calculated results clearly reveal that the FePc molecular junction has high spin-filter efficiency as well as negative differential resistance (NDR). The zero-bias conductance through FePc molecule is dominated by the spin-down electrons, and the observed NDR originates from the bias-dependent effective coupling between the FePc molecular orbitals and the narrow density of states of electrodes. The remarkable high spin-filter efficiency and NDR are robust regardless of the edge shape and the width of GNRs, and the N-doping site in GNRs. These predictions indicate that FePc junction holds great promise in molecular electronics and spintronics applications. |
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