Ferromagnetism and antiferromagnetism in hydrogenated g-C3N4: A first-principles study

Magnetism in light elements materials has attracted considerable attention due to its potential application in spintronics. Based on the two-dimensional nonmagnetic graphitic carbon nitride structure (g-C3N4), we have constructed some hydrogenated graphitic carbon nitride structures and studied their electronic structures and magnetic properties by first-principles calculations. Both ferromagnetism and antiferromagnetism are found in these materials and the magnetic moments are mainly from the p electrons of N and C atoms.