Controlling phase transition in monolayer metal diiodides XI2 (X: Fe, Co, and Ni) by carrier doping

  title={Controlling phase transition in monolayer metal diiodides XI2 (X: Fe, Co, and Ni) by carrier doping},
  author={Teguh Budi Prayitno},
  journal={Journal of Physics: Condensed Matter},
  • T. Prayitno
  • Published 2021
  • Physics, Medicine
  • Journal of Physics: Condensed Matter
We applied the generalized Bloch theorem to verify the ground state (most stable state) in monolayer metal diiodides 1T-XI2 (X: Fe, Co, and Ni), a family of metal dihalides, using the first-principles calculations. The ground state, which can be ferromagnetic, antiferromagnetic, or spiral state, was specified by a wavevector in the primitive unit cell. While the ground state of FeI2 is ferromagnetic, the spiral state becomes the ground state for CoI2 and NiI2. Since the multiferroic behavior in… Expand


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