Abstract
Two-dimensional(2D)CrI3 is a ferromagnetic semiconductor with potential for applications in spintronics.However,its low Curie temperature(Tc)hinders realistic applications of CrI3.Based on first-principles calculations,5d transition metal(TM)atom doping of CrI3(TM@CrI3)is a universally effective way to increase Tc,which stems from the increased magnetic moment induced by doping with TM atoms.Tc of W@CrI3 reaches 254 K,nearly six times higher than that of the host CrI3.When the doping concentration of W atoms is increased to above 5.9％,W@CrI3 shows room-temperature ferromagnetism.Intriguingly,the large magnetic anisotropy energy of W@CrI3 can stabilize the long-range ferromagnetic order.Moreover,TM@CrI3 has a strong ferromagnetic stability.All TM@CrI3 change from a semiconductor to a half-metal,except doping with Au atom.These results provide information relevant to potential applications of CrI3 monolayers in spintronics.
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