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Dynamical mean-field theory study of a ferromagnetic CrI3 monolayer

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Abstract

We have employed one of the well-known many-body techniques, density functional theory plus dynamical mean-field theory (DFT + DMFT), to investigate the electronic structure of ferromagnetic monolayer CrI3 as a function of temperature and hole-doping concentration. The computed magnetic susceptibility follows Curie’s law, indicating that the ferromagnetism of monolayer CrI3 originates from localized magnetic moments of Cr atoms rather than Stoner-type itinerant ones. The DFT + DMFT calculations show a different coherent temperature for each spin component, demonstrating apparent strong spin-dependent electronic correlation effects in monolayer CrI3. Furthermore, we have explored the doping-dependent electronic structure of monolayer CrI3 and found that its electronic and magnetic properties is easily tunable by the hole-doping.

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Acknowledgements

We are grateful to G. L. Pascut for his useful discussions. This work was supported by Incheon National University Research Grant in 2021 (2021-0013).

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Correspondence to Chang-Jong Kang or Jeongwoo Kim.

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Kang, CJ., Hong, J. & Kim, J. Dynamical mean-field theory study of a ferromagnetic CrI3 monolayer. J. Korean Phys. Soc. 80, 1071–1075 (2022). https://doi.org/10.1007/s40042-022-00474-2

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  • DOI: https://doi.org/10.1007/s40042-022-00474-2

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