Two-Dimensional Magnetic Semiconductors by Substitutional Doping of Monolayer PtS<sub>2</sub>
Using first-principles calculations, we study the electronic and magnetic properties of monolayer PtS2 doped substitutionally with 3d transition metals. We obtain nonmagnetic semiconductors by doping with Ti and Ni, half-metals by doping with V and Cr, ferromagnetic semiconductors by doping with Co, and antiferromagnetic semiconductors by doping with Mn and Fe. Total magnetic moments of up to 3 μB are created. The Curie temperature is determined by means of a Heisenberg model in the mean-field approximation and adopting Monte Carlo simulations. 1T phase transition-metal dichal-cogenides turn out to be a promising platform for realizing two-dimensional magnetic semiconductors.
Authors
- Udo Schwingenschlögl (ORCID: https://orcid.org/0000-0003-4179-7231)
- Athmane Meddour
- Zeyneb Bordjiba
- Paresh C. Rout (ORCID: https://orcid.org/0000-0001-6442-2825)
- Minglei Sun (ORCID: https://orcid.org/0000-0001-5105-0065)
Institutions
- University of Guelma (DZ)
- King Abdullah University of Science and Technology (SA)
Publication Details
- Journal
- ACS Applied Electronic Materials
- Published
- 2024-09-20
- DOI
- https://doi.org/10.1021/acsaelm.4c01196
- Citations
- 12
- Primary Topic
- 2D Materials and Applications
- Type
- article
- Field-Weighted Citation Impact
- 1.41
Funders
- King Abdullah University of Science and Technology