Impact of isotropic strain on electronic and magnetic properties of O-adsorbed SiC monolayer

Abstract

Electronic and magnetic properties of two-dimensional (2D) silicon carbide (SiC) with the O adatom have been studied by the first-principles calculations. Different adsorption sites have been investigated. Magnetism is observed, while the O adatom binds to Si or situates in the middle of hexagons. We further study the effects of strain on the magnetism in the O-adsorbed 2D-SiC, we apply an isotropic tensile and compressive strain on the system. On the basis of our calculations, tunable magnetism shows as the strain increases. The analysis of the PDOS shows that the p-p hybridization between O and C/Si atoms results in such magnetic behavior. Moreover, under the compressive strain, the O-adsorbed SiC monolayer could transfer from semimetal to metal states. The adsorption of the O atom might show potential applications in SiC-based nanoscale devices.