Spin-Crossover Assisted Spin-Switching and Rectification Action in Half-Metallic Graphitic Carbon Nitride(g-C4 N3 ).

Herein, we report on the potential multifunctional spintronic action of half-metallic graphitic carbon nitride (g-C4 N3 ). We observed electrostatic spin-crossover action at an applied electric field of -0.77 V nm-1 , which eventually leads to spin-switching action and change in sign of bias dependent spin injection coefficient. The system also acts as a spin polarized charge current rectifier with rectification ratio of 65.41 in spin-up channel only. This electric field-controlled spin switching action and simultaneous existence of rectification action makes graphitic carbon nitride a perfect multifunctional spintronic system-an ideal material for quantum logic gate design. Results obtained have been substantiated through transmission spectra and transmission pathways analyses. An analysis of projected device density of states of the system and molecular projected self consistent Hamiltonian states analysis reveals that the electron flow of the system is mainly facilitated by 2p orbitals of C and N atoms.