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Recently the discovery of magnetic order in two-dimensional monolayerchromium trihalides opens the new research field in two-dimensional materials.We use first-principles calculations to systematically examine the dopingeffect of chalcogen on CrBr3. In the case of S-doping, four stableconfigurations, Cr2Br5S, Cr2Br4S2-A, Cr2Br4S2-B and Cr2Br3S3-A, are predictedto be ferromagnetic semiconductors. It is found that the new bands appearing inthe original bandgap are made up of S-p and Cr-d-egorbits, lead to the obviousreduce of bandgap and the enhanced optical absorption in the visible range. Dueto the decrease of valence electron after chalcogen doping, the magnetic momentalso decreases with the increase of S atoms, and the character of ferromagneticsemiconductor is always hold in a wide range of strain. The results shown thatmonolayer CrBr3with chalcogen doping supply a effectual way to control themagnetism and extend the optoelectronic applications.

The Doping effect of Chalcogen on the Two-Dimensional Ferromagnetic Material Chromium Tribromide