Abstract

The pi stacked complex C6C6H6-Fe-C6H6C7, while sandwiched amongst two Fe (100) electrodes display molecular spintronic characteristics with spin filtration and spin rectification under applied bias. Spintronic feature of C6C6H6-Fe-C6H6C7 has been validated by performing best in class nonequilibrium Green's function calculations and an examination of density of states of iron and carbon. Our study also reports spin filtration, spin rectification and measurement of pure spin current corresponding to n = 6. Entire explanation has been provided through a prognosis of projected device density of states and transmission pathways of our chosen system. These observations, certainly provides a new dimension in the design of pi stacked transition metal complex exhibiting spintronic feature and opens up another prospective area of spintronic research. Our study reveals that final transmission behaviour is decided by dominant carbon 2p electrons along with small contribution of 3d electrons of iron.

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