Investigations Of Half-metallicity Among Doped And Un-doped Graphene Nanostructures In Different Conformations For Spintronics Applications

We have investigated the phenomenal of half-metallicity among various novelrnconformations of graphene nanoribbons (GNRs). The Density of States (DOS) and thernTransmission spectrum (TS) of zigzag GNRs doped with boron (B), Nitrogen (N) andrnOxygen (O) atoms and undoped but with vacancies are independently investigated byrnfirst-principle calculations. A new scheme of spin diode architecture is identified tornachieve half-metallicity in ZGNRs by doping B atoms at one edge and N atoms at thernother as well as B atom at one edge and O atom at the other edge. We found that thernorigin of the nearly half-metallic state is due to interactions between the edge states andrnB-N or B-O atoms which provide direct control over the electron occupation of the edgernstates by inducing large chemical potential difference between the edge states. We havernalso found that the ZGNR spintronicity is vacancy concentration dependent. Particularly,rnfor single vacancy site the FM coupling among the zigzag edges are more favorable,rnwhile double vacancy sites are found to promote the AFM edge coupling. The asrnmentioned results of the nearly half-metallicity are presented in the thesis byrncorroborating them with the results of spin polarization. The prospects of nearly halfrnmetallic results are also discussed in context to mangetoresistive device performance.

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