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Defects That Magnetize Beyond Monolayer PtSe2
Ilias M Oikonomou1,2,3, Danielle Douglas-Henry2,3, Mohammadreza Daqiqshirazi1,4
1Faculty of Chemistry and Food Chemistry, Dresden University of Technology, Dresden, Germany.
Defect engineering in multilayer platinum diselenide (PtSe2) creates robust magnetism. Complex defects restore magnetism, enabling tunable 2D half-metallic states for spintronics.
Area of Science:
- Materials Science
- Condensed Matter Physics
- Nanotechnology
Background:
- Two-dimensional (2D) materials offer potential for advanced spintronic and quantum devices.
- Achieving magnetism beyond the monolayer in 2D materials is a significant challenge.
Purpose of the Study:
- Investigate the emergence and control of magnetism in multilayer platinum diselenide (PtSe2).
- Explore defect engineering strategies to realize tunable magnetic properties in PtSe2.
Main Methods:
- Hybrid density functional theory (DFT) calculations.
- Aberration-corrected scanning transmission electron microscopy (AC-STEM).
Main Results:
- Magnetism in PtSe2 is typically quenched by interlayer interactions but restored by complex defects (Pt vacancy + PtSe antisite).
- These defects induce magnetic moments up to 3.16 µB and create 2D half-metallic states in bilayer PtSe2.
- Se vacancies tune magnetic properties and extend magnetic moments in trilayer PtSe2.
Conclusions:
- Defect engineering provides a method for robust magnetic phase control in PtSe2 without external doping or strain.
- PtSe2 serves as a tunable platform for room-temperature spintronic and valleytronic applications.
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