Spin‐Crossover Assisted Spin‐Switching and Rectification Action in Half‐Metallic Graphitic Carbon Nitride(g‐C₄N₃)

Abstract

Herein, we report on the potential multifunctional spintronic action of half-metallic graphitic carbon nitride (g-C 4 N 3 ). We observed electrostatic spin-crossover action at an applied electric field of À 0.77 V nm À 1 , which eventually leads to spinswitching 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 spinup 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.[a] R. . The MPSH states (isovalue: 0.0011 Å), corresponding to the SOHMO of the obtained g-C 4 N 3 system at À 1 V for spin-up (a) and spin-down (b) channel and at + 1 V for spin-up (c) and spin-down (d) channel. 4 5 6 7 8

Role of dopants in tuning spintronic features of lithium doped g-C4N3@Lin =1 to 4

“…However, in this context graphitic carbon nitride (g-C4N3) is found to be an ideal material to study as it possesses both the characters of metal-free magnetism and half metallicity in spite of being free from any 3d transitional metal elements [12,13]. It is well known that generally 2p electronic systems exhibits non-magnetic character in bulk systems but in case of ultrathin two dimensional structure like g-C4N3 the 2p electrons behave in a very peculiar way to manifest magnetic behaviour associated with half metallicity; which certainly makes it useful as a probable spintronic material [14][15][16][17][18][19][20][21]. In this context, it is worth noting that electronic structure property of g-C4N3 could be suitably tuned in presence of metallic dopants like Li atom.…”

Evidence of Critical Tunnelling Width in Ensuring Spin Polarized Asymmetric Negative Differential Resistance Feature in Two‐Dimensional g‐C4N3‐graphene‐g‐C4N3

“…It is already reported that g-C 4 N 3 is half-metallic and has several intriguing spintronic features. [26,30] However, there are only limited resources to use g-C 4 N 3 as electrode in 2D nanostructure and explore the prospective tuning of device property and enhance areas of applicability of the device formed. It is expected that presence of insulating/tunnel barrier between two magnetic electrodes would drastically improve the areas of applicability of the system as a NDR device.…”

“…These inventions certainly open the prospective use of similar two‐dimensional nanostructure, graphitic carbon nitride (g‐C 4 N 3 ) as nanodevice. It is already reported that g‐C 4 N 3 is half‐metallic and has several intriguing spintronic features [26,30] . However, there are only limited resources to use g‐C 4 N 3 as electrode in 2D nanostructure and explore the prospective tuning of device property and enhance areas of applicability of the device formed.…”