Metal-free half-metallicity in a high energy phase C-doped gh-C3N4 system: a high Curie temperature planar system

Abstract

Metal free half-metallicity has been the subject of intense research in the field of spintronics devices. Using density functional theoretical calculations, atomically thin graphitic heptazine carbon nitride (gh-C₃N₄) based systems are studied for possible spintronics application. Ferromagnetism is observed in all of the C-doped gh-C₃N₄ systems due to hole injection. However, a high energy phase of C-doped gh-C₃N₄ (C_N2@gh-C₃N₄) shows strong half-metallicity with a Curie temperature as high as ∼400 K. The calculated Curie temperature is noticeably higher than the metal-free based half-metallic systems studied to date. Thereby, such a ferromagnetic half-metallic system with a high Curie temperature can be promising for high temperature spintronics applications.