Role of dopants in tuning spintronic features of lithium doped g-C₄N₃@Li_{n =1 to 4}

Abstract

We report herein, charge transfer assisted tuning of electronic and spintronic feature of g-C4N3@Lin=1-4 systems. Complete removal of spintronic feature is observed at the doping concentration 14.28%. At lower doping concentration, half metallic feature is observed with clear manifestation of negative differential resistance, which is predominant at n=3. We also noticed significant modifications in current-voltage characteristics as the number of dopants flips from odd to even numbers. Observed feature is mainly attributed to increased charge transfer from Li atom to the g-C4N3 backbone at higher doping concentration and concomitant enhancement in electron-electron interactions. These observations are in corroboration with molecular orbital picture obtained at various doping concentrations.