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Ferromagnetism in two-dimensional metal dibromides induced by hole-doping
Ruishen Meng1, Michel Houssa2,3
1Department of Physics and Astronomy, KU Leuven, Leuven, 3001, Belgium. ruishen.meng@kuleuven.be.
Scientific Reports
|July 17, 2023
Summary
Two-dimensional lead and mercury dibromides can be made ferromagnetic through hole-doping. Specific defects and dopants like lithium and sulfur can induce this magnetic behavior in these nonmagnetic materials.
Area of Science:
- Materials Science
- Condensed Matter Physics
- Solid State Chemistry
Background:
- Two-dimensional (2D) materials offer unique electronic and magnetic properties.
- Lead bromide (PbBr2) and mercury bromide (HgBr2) are inherently nonmagnetic 2D materials.
- Hole-doping is a potential strategy to induce magnetism in nonmagnetic systems.
Purpose of the Study:
- Investigate the possibility of inducing ferromagnetism in 2D PbBr2 and HgBr2 through hole-doping.
- Analyze the role of intrinsic and extrinsic defects in achieving hole-doping and ferromagnetism.
- Identify suitable dopants for stable ferromagnetic order in these 2D dibromides.
Main Methods:
- Spin-polarized first-principles calculations.
- Density functional theory (DFT) framework.
- Analysis of electronic structure and magnetic properties.
Main Results:
- Hole-doping at densities > 10^13 cm^-2 can induce stable ferromagnetic order in 2D PbBr2 and HgBr2.
- Pb/Hg vacancies and Br antisites can act as p-type dopants, though Br antisites are deep acceptors.
- Li substituting Pb/Hg and S replacing Br in HgBr2 create shallow acceptor states, promoting ferromagnetism.
Conclusions:
- Ferromagnetism can be controllably induced in 2D PbBr2 and HgBr2 via hole-doping.
- Defect engineering and specific dopant selection are crucial for achieving desired magnetic properties.
- These findings open pathways for novel 2D magnetic materials.
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