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We report first principles theory-based comparative electronic transportstudies performed for an atomic chain of Au, bare Cd9Te9 cage-like cluster andsingle transition metal (TM) (Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Ru, Rh, Pd)atom encapsulated within the Cd9Te9 using Au(111) as electrodes. The barecluster is semiconducting and acts as a tunnel barrier up to a particularapplied bias and beyond that, the device has a linear current-voltagerelationship. Several TM (Ti, V, Cr, Mn, Fe) encapsulated in the cage showhalf-metallic behavior and spin filtering effect in the I-V characteristics ofthe device. A detailed qualitative and quantitative analysis of I-Vcharacteristics for metallic, semiconducting, and half-metallic nanostructureshas been carried out.

Tunnel Barrier to Spin Filter: Electronic Transport Characteristics of Transition Metal Atom Encapsulated in Smallest Cadmium Telluride Cage