【摘 要】
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We theoretically provide a magnetic phase diagram for the single-layer (SL) CrBr3,which could be effectively tuned by both strain engineering and charge doping in SL-CrBr3.Through systematical first-principles calculations and Heisen-berg model Hamiltonia
【机 构】
：
Institute of Applied Physics and Computational Mathematics,Beijing 100088,China;Beijing University o
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We theoretically provide a magnetic phase diagram for the single-layer (SL) CrBr3,which could be effectively tuned by both strain engineering and charge doping in SL-CrBr3.Through systematical first-principles calculations and Heisen-berg model Hamiltonian simulations,three different magnetic phases in SL-CrBr3,which are off-plane ferromagnetic,in-plane ferromagnetic and in-plane Néel-antiferromagnetic phases,are found in the strain and charge doping regimes we studied.Furthermore,our results show that higher order Heisenberg exchange parameters and anisotropy exchange param-eters should be taken into account for accurately illustrating the magnetic phase transition in SL-CrBr3.As a result,we find from the SpinW simulation that the Curie temperature is about Tc =38.4 K,which is well consistent with the experimental result 34 K[Nano Lett.193138 (2019)].The findings here may be confirmed in future experiments,and may be useful for the potential applications of SL-CrBr3 in spintronics field.
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