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Published on: March 24, 2019
Carrier-mediated ferromagnetism in two-dimensional PtS2.
Konstantina Iordanidou1, Michel Houssa2, Clas Persson1
1Centre for Materials Science and Nanotechnology, Department of Physics, University of Oslo P.O. Box 1048 Blindern NO-0316 Oslo Norway konstantina.iordanidou@smn.uio.no.
Hole doping induces ferromagnetism and half-metallicity in 2D PtS2, enabling spin-polarized transport. Arsenic doping is identified as a promising method to achieve this in two-dimensional materials.
Area of Science:
- Condensed Matter Physics
- Materials Science
- Computational Materials Science
Background:
- Two-dimensional (2D) Platinum Disulfide (PtS2) is an intrinsically non-magnetic material.
- Understanding and controlling magnetic and electronic properties of 2D materials is crucial for spintronics.
- Hole doping is a potential strategy to engineer the properties of 2D materials.
Purpose of the Study:
- To investigate the effects of hole doping on the magnetic and electronic properties of 2D PtS2.
- To explore the potential for inducing ferromagnetism and half-metallicity in 2D PtS2.
- To identify suitable dopants for achieving p-type conductivity and magnetic order.
Main Methods:
- First-principles calculations based on density functional theory (DFT).
- Simulation of hole doping and substitutional doping (specifically with Group-V elements like Arsenic).
- Analysis of electronic band structures and magnetic moments.
Main Results:
- A stable ferromagnetic phase is induced in 2D PtS2 across a wide range of hole densities due to Stoner instabilities.
- Half-metallicity is observed, with distinct insulating majority spin states and metallic minority spin states.
- Arsenic (As) doping replacing Sulfur (S) creates shallow spin-polarized states near the valence band edge, promoting p-type conductivity and ferromagnetism.
Conclusions:
- Hole doping effectively transforms non-magnetic 2D PtS2 into a ferromagnetic half-metal.
- The resulting spin-polarized electronic structure is suitable for fully polarized spin transport applications.
- Arsenic doping is identified as the most promising substitutional dopant for realizing p-type ferromagnetic 2D PtS2.
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