Exploitable Magnetic Anisotropy of Magnetic CrBr 3 Monolayer
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Exploitable Magnetic Anisotropy of Magnetic CrBr3 Monolayer M. Luo+1) , Y. H. Shen∗ + Department ∗ Key
of Physics, Shanghai Polytechnic University, 201209 Shanghai, China
Laboratory of Polar Materials and Devices, East China Normal University, 200241 Shanghai, China Submitted 23 May 2020 Resubmitted 28 May 2020 Accepted 28 May 2020
We investigated the influence of Li and F adsorption on the ferromagnetism and magnetic anisotropy energy of CrBr3 monolayer based on the first-principles calculations. It is observed that Li adsorption can dramatically enhance its ferromagnetism, and tune its easy magnetization axis to the in-plane direction from original out-of-plane. The monotonic enhancement of in-plane magnetism in CrBr3 as the coverage of Li increases is attributed to electrostatic doping induced by charge transfer between Li atoms and Br atoms. By contrast, the F adsorption reduces the out-of-plane magnetism in CrBr3 as the coverage of F increases, but keeps the original easy magnetization. Our results may open new promising applications of CrBr3 -based materials in spintronic devices. DOI: 10.1134/S0021364020130019
1. Introduction. Two dimensional (2D) materials have attracted a lot of attention due to their potential applications in various fields, such as electronic devices [1–4], optoelectronic devices [5], and catalysts [6]. However, the development of applications of 2D materials in spintronics was lagged in the pace, due to the lack of magnetic ordering in conventional 2D materials. Large numbers of experimental and theoretical have been carried out on introducing magnetism into nonmagnetic 2D materials or seeking 2D materials with intrinsic magnetism. On the one hand, the general methods of inducing magnetism in nonmagnetic 2D materials were substitutional doping [7, 8], defect engineering [9], magnetic proximity effect [10] and so on. Although some achievements have been made by these approaches, the introduced magnetism is relatively weak and difficult to control experimentally. On the other hand, a variety of theoretical prediction about new 2D ferromagnetic materials, such as CrI3 [11, 12], Cr2 Ge2 Te6 [13], VSe2 [14], MnSex [15], Fe3 GeTe2 [16], and Fe5 GeTe2 [17], have been reported. These findings provide new exciting opportunities for future spintronic applications. Magnetic anisotropy energy (MAE) plays a key role in 2D magnetic materials, and it could overcome the thermal fluctuations and stabilizes the magnetic order at the finite temperature which has been verified by the Mermin–Wagner theorem [18]. Moreover, ferromagnetic 2D materials with large anisotropy comes attract growing attention for their potential applications 1) e-mail:
in spintronic devices. It is considerably attractive to explore whether intrinsic ferromagnetism and the magnetic anisotropy of 2D monolayer can be modulated. Previous works indicated that surface adsorption is an attractive approach to control electronic structure and magnetism in 2D materials [19]. By adsorption, a charge transfer can be induced between adatoms and the
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