J. Semicond. > 2022, Volume 43 > Issue 5 > 052001, doi: 10.1088/1674-4926/43/5/052001
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ARTICLES

Magnetic tuning in a novel half-metallic Ir2TeI2 monolayer

Didi Zhao, Chenggong Zhang, Changwen Zhang, Weixiao Ji, Shengshi Li and Peiji Wang

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 Corresponding author: Peiji Wang, ss_wangpj@ujn.edu.cn

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Abstract: A two-dimensional (2D) high-temperature ferromagnetic half-metal whose magnetic and electronic properties can be flexibly tuned is required for the application of new spintronics devices. In this paper, we predict a stable Ir2TeI2 monolayer with half-metallicity by systematical first-principles calculations. Its ground state is found to exhibit inherent ferromagnetism and strong out-of-plane magnetic anisotropy of up to 1.024 meV per unit cell. The Curie temperature is estimated to be 293 K based on Monte Carlo simulation. Interestingly, a switch of magnetic axis between in-plane and out-of-plane is achievable under hole and electron doping, which allows for the effective control of spin injection/detection in such 2D systems. Furthermore, the employment of biaxial strain can realize the transition between ferromagnetic and antiferromagnetic states. These findings not only broaden the scope of 2D half-metal materials but they also provide an ideal platform for future applications of multifunctional spintronic devices.

Key words: two-dimensional materials, spintronics, half-metal, magnetic anisotropy energy



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Fig. 1.  (Color online) (a) Lattice structure of Ir2TeI2 monolayer. (b) Diagram of the first Brillouin zone of 2D hexagonal structure. (c) The phonon dispersion of Ir2TeI2. (d) The energy change when Ir2TeI2 monolayer is stripped. d is the distance between the two layers. (e, f) Graphs of Poisson's ratio and Young's modulus, respectively.

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Fig. 2.  (Color online) (a) Electron band structure of Ir2TeI2 monolayer, the red represents spin up, blue represents spin down. (b) The PDOS of Ir atom in different spin channels.

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Fig. 3.  (Color online) (a) FM and three types of AFM magnetic order diagrams of magnetic atoms, purple and blue represent different spin orientations, respectively. ΔE represents the energy of different magnetic sequences with respect to the FM state. (b) The change of specific heat and magnetism relative to temperature, red line denotes specific heat Cv and blue denotes atomic mean magnetic moment.

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Fig. 4.  (Color online) Angle dependence of MAE of Ir2TeI2 in (a) xz plane and (b) xy plane, where θ and φ correspond to the z and x axes, respectively.

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Fig. 5.  (Color online) (a) Carrier injection regulates the magnetization direction in ferromagnetic state. (b) A schematic diagram of a 2D magnetoelectric device controlled by electrostatic doping to achieve the giant magnetoresistance effect, the 2D FM monomolecular layer is bi-gated, while the two by like SiO2 dielectric layers act to avoid direct tunneling.

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Fig. 6.  (Color online) (a) The variation of bond lengths of the closest neighbors Ir1-Ir2 and Ir-Te between layers and bond angle β as a function of strain. (b) The variation of bond lengths of the next closest neighbors Ir1-Ir1 and Ir-I within layers and bond Angle α as a function of strain. (c) Structural energy changes and competition between FM and AFM under strain (–10% to 10%). (d) The value change of band gap and MAE with compressive strain. (e) The antiferromagnetic coupling of direct exchange between magnetic atoms and (f) the ferromagnetic coupling of hyperexchange mediated by Te/I atoms.

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Table 1.   MAE (meV) of unit cell with respect to (001) direction, anisotropy constant K (meV) and Tc (K)

Magnetic axis001001110111TcK1K2
ΔE (meV/uc)1.02401.0160.5822930.330.176
DownLoad: CSV
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    Received: 05 November 2021 Revised: 18 November 2021 Online: Accepted Manuscript: 10 January 2022Uncorrected proof: 11 January 2022Published: 01 May 2022

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      Article Navigation >  Journal of Semiconductors  > 2022  >  43(5): 052001
      Didi Zhao, Chenggong Zhang, Changwen Zhang, Weixiao Ji, Shengshi Li, Peiji Wang. Magnetic tuning in a novel half-metallic Ir2TeI2 monolayer[J]. Journal of Semiconductors, 2022, 43(5): 052001. doi: 10.1088/1674-4926/43/5/052001 ****Didi Zhao, Chenggong Zhang, Changwen Zhang, Weixiao Ji, Shengshi Li, Peiji Wang. 2022: Magnetic tuning in a novel half-metallic Ir2TeI2 monolayer. Journal of Semiconductors, 43(5): 052001. doi: 10.1088/1674-4926/43/5/052001
      Citation:
      Didi Zhao, Chenggong Zhang, Changwen Zhang, Weixiao Ji, Shengshi Li, Peiji Wang. Magnetic tuning in a novel half-metallic Ir2TeI2 monolayer[J]. Journal of Semiconductors, 2022, 43(5): 052001. doi: 10.1088/1674-4926/43/5/052001 ****
      Didi Zhao, Chenggong Zhang, Changwen Zhang, Weixiao Ji, Shengshi Li, Peiji Wang. 2022: Magnetic tuning in a novel half-metallic Ir2TeI2 monolayer. Journal of Semiconductors, 43(5): 052001. doi: 10.1088/1674-4926/43/5/052001
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      Magnetic tuning in a novel half-metallic Ir2TeI2 monolayer

      doi: 10.1088/1674-4926/43/5/052001

      • School of Physics and Technology, Spintronics Institute, University of Jinan, Jinan 250022, China

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      • Didi Zhao：received her B.Sc. degree in physics from the University of Jinan, China. She is now a physics master's student in the Spintronics team at the School of Physics, University of Jinan. Her main research fields are spintronics and the topological properties of low dimensional materials
      • Peiji Wang：earned his B.Sc. degree in physics from the Jilin University in 1987. He received his Ph.D. degree in optics from the Harbin Institute of Technology in 2009. He has been working at the University of Jinan since 1987. His current research focuses on semiconductor materials, nanomaterial design and the tuning of topological materials
      • Corresponding author: ss_wangpj@ujn.edu.cn
      • Received Date: 2021-11-05
      • Accepted Date: 2022-01-10
      • Revised Date: 2021-11-18
        • Available Online: 2022-03-23

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