Robust ferromagnetism and half-metallicity in fluorinated two-dimensional BeN2 sheets

Via the first-principles approach based on the hybrid functional, the stable configurations and electronic and magnetic properties of fluorinated two-dimensional BeN2 (F-BeN2) have been studied. F atoms are adsorbed on Be ion sites and each fluorine adsorbate induces robust 1 lB magnetic moment. As a result, a F-BeN2 sheet becomes a ferromagnetic half-metal from a semiconducting intrinsic BeN2. The semiconducting bandgap of the half-metallic F-BeN2 sheets varies from 2.26 to 2.92 eV with different F coverages. With external strains, F-BeN2 maintains the ferromagnetic and half-metallic features and the semiconducting bandgap changes only a little. It suggests that F-BeN2 can be a good light-element magnet with promising potential for spintronic applications. Published by AIP Publishing.