Magnetic phase diagram of single-layer CrBr_(3)  

作　　者：Wei Jiang Yue-Fei Hou Shujing Li Zhen-Guo Fu Ping Zhang 江伟;侯跃飞;李淑静;付振国;张平(Institute of Applied Physics and Computational Mathematics,Beijing 100088,China;Beijing University of Chemical Technology,Beijing 100029,China;School of Physics and Physical Engineering,Qufu Normal University,Qufu 273165,China)

机构地区：[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

出　　处：《Chinese Physics B》2021年第12期577-582,共6页中国物理B（英文版）

基　　金：Project supported by the National Natural Science Foundation of China(Grant No.11625415);the Innovation Development Foundation of China Academy of Engineering Physics(Grant No.ZYCX1921-02)。

摘　　要：We theoretically provide a magnetic phase diagram for the single-layer(SL)CrBr_(3),which could be effectively tuned by both strain engineering and charge doping in SL-CrBr_(3).Through systematical first-principles calculations and Heisenberg model Hamiltonian simulations,three different magnetic phases in SL-CrBr_(3),which are off-plane ferromagnetic,in-plane ferromagnetic and in-plane Neél-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-CrBr_(3).As a result,we find from the SpinW simulation that the Curie temperature is about T_(c)=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-CrBr_(3)in spintronics field.

关 键 词：magnetic anisotropy single-layer CrBr_(3) Néel-antiferromagnetic phase 

分 类 号：O469[理学—凝聚态物理]