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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- Journal of Semiconductors
- Vol. 43, Issue 5, 052001 (2022)

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.

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.

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 C v and blue denotes atomic mean magnetic moment.

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

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.

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 T c (K)

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