• Journal of Semiconductors
  • Vol. 43, Issue 5, 052001 (2022)
Didi Zhao, Chenggong Zhang, Changwen Zhang, Weixiao Ji..., Shengshi Li and Peiji Wang|Show fewer author(s)
Author Affiliations
  • School of Physics and Technology, Spintronics Institute, University of Jinan, Jinan 250022, China
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    DOI: 10.1088/1674-4926/43/5/052001 Cite this Article
    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 Copy Citation Text show less

    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.
    $ {Y}\left({\theta}\right)=\frac{{{c}}_{{11}}{{c}}_{{22}}-{{c}}_{{12}}^{{2}}}{{{c}}_{{11}}{{\sin}}^{{4}} \theta+{A}{{\sin}}^{{2}}\theta{{\cos}}^{{2}}\theta+{{c}}_{{22}}{{\cos}}^{{4}}\theta}, $ (1)

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    $ V(\theta)=\frac{{{c}}_{{12}}{{\sin}}^{{4}}{\theta+B}{{\sin}}^{{2}}{\theta}{{\cos}}^{{2}}{\theta+}{{c}}_{{12}}{{\cos}}^{{4}}{\theta}}{{{c}}_{{11}}{{\sin}}^{{4}}{\theta+A}{{\sin}}^{{2}}{\theta}{{\cos}}^{{2}}{\theta+}{{c}}_{{22}}{{\cos}}^{{4}}{\theta}}{}, $ (2)

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    $ H=-{\sum }_{\left\langle{i,j}\right\rangle}{J}_{1}{m}_{i}{m}_{j}-{\sum }_{\left\langle{\left\langle{i,j}\right\rangle}\right\rangle}{J}_{2}{m}_{i}{m}_{j}, $ (3)

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    $ {E}_{\rm{FM}}={E}_{0}-6{J}_{1}{M}^{2}-12{J}_{2}{M}^{2} , $ ()

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    $ {E}_{\rm{AFM}1}={E}_{0}+6{J}_{1}{M}^{2}-12{J}_{2}{M}^{2} , $ ()

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    $ {E}_{\rm{AFM}2}={E}_{0}-2{J}_{1}{M}^{2}+4{J}_{2}{M}^{2} , $ ()

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    $ {E}_{\rm{AFM}3}={E}_{0}+2{J}_{1}{M}^{2}+4{J}_{2}{M}^{2}. $ (4)

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    $ \text{}\text{MAE(}{\theta}\text{)}={{K}}_{\text{1}}{{\sin}}^{\text{2}}\theta+{{K}}_{\text{2}}{{\sin}}^{\text{4}}{\theta}. $ (5)

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    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
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