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Chin. Phys. B, 2021, Vol. 30(12): 127501    DOI: 10.1088/1674-1056/ac0043

Magnetic phase diagram of single-layer CrBr3

Wei Jiang(江伟)1, Yue-Fei Hou(侯跃飞)1, Shujing Li(李淑静)2, Zhen-Guo Fu(付振国)1, and Ping Zhang(张平)1,3,†
1 Institute of Applied Physics and Computational Mathematics, Beijing 100088, China;
2 Beijing University of Chemical Technology, Beijing 100029, China;
3 School of Physics and Physical Engineering, Qufu Normal University, Qufu 273165, China
Abstract  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 Heisenberg 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 parameters 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. 19 3138 (2019)]. The findings here may be confirmed in future experiments, and may be useful for the potential applications of SL-CrBr3 in spintronics field.
Keywords:  magnetic anisotropy      single-layer CrBr3      Néel-antiferromagnetic phase  
Received:  22 March 2021      Revised:  05 May 2021      Accepted manuscript online:  12 May 2021
PACS:  75.30.Gw (Magnetic anisotropy)  
  75.30.Kz (Magnetic phase boundaries (including classical and quantum magnetic transitions, metamagnetism, etc.))  
  75.50.Ee (Antiferromagnetics)  
  75.70.Ak (Magnetic properties of monolayers and thin films)  
Fund: Project supported by the National Natural Science Foundation of China (Grant No. 11625415). Z.-G. Fu acknowledges the Innovation Development Foundation of China Academy of Engineering Physics (Grant No. ZYCX1921-02).
Corresponding Authors:  Ping Zhang     E-mail:

Cite this article: 

Wei Jiang(江伟), Yue-Fei Hou(侯跃飞), Shujing Li(李淑静), Zhen-Guo Fu(付振国), and Ping Zhang(张平) Magnetic phase diagram of single-layer CrBr3 2021 Chin. Phys. B 30 127501

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