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Pressure-driven magnetic phase change in the CrI3/Br3Cr2I3 heterostructure
Fazle Subhan1, Luqman Ali2, Razia Aman3
1State Key Laboratory of Advanced Design and Manufacturing Technology for Vehicle, College of Mechanical and Vehicle Engineering, Hunan University, Changsha 410082, P. R. China. gzqin@hnu.edu.cn.
Physical Chemistry Chemical Physics : PCCP
|December 9, 2024
Summary
This study explores the CrI3/Br3Cr2I3 heterostructure, revealing pressure-induced magnetic transitions. External pressure and contact atoms significantly alter magnetic properties, showing potential for spintronic devices.
Area of Science:
- Condensed Matter Physics
- Materials Science
- Quantum Chemistry
Background:
- Vertically stacked van der Waals (vdW) heterostructures are crucial for advanced electronic devices.
- Two-dimensional (2D) materials offer unique electronic and magnetic properties.
- CrI3 is a 2D magnetic material with potential for spintronics.
Purpose of the Study:
- Investigate the electronic and magnetic properties of the CrI3/Br3Cr2I3 vdW heterostructure.
- Determine the effects of contact atoms and external pressure on magnetic behavior.
- Explore the magneto-crystalline anisotropy energy (MAE) and its dependencies.
Main Methods:
- First-principles calculations were employed.
- The study focused on the CrI3/Br3Cr2I3 heterostructure.
- Analysis included the impact of external pressure and stacking configurations.
Main Results:
- The heterostructure exhibits a transition from antiferromagnetic (AFM) to ferromagnetic (FM) state under pressure.
- Magneto-crystalline anisotropy energy (MAE) is sensitive to stacking and contact atoms.
- A correlation between MAE and polar angle was observed.
Conclusions:
- External pressure and interface engineering can tune the magnetic properties of CrI3-based heterostructures.
- The findings highlight the potential of the CrI3/Br3Cr2I3 heterostructure for spintronic applications.
- Understanding pressure-regulated magnetism is key for device design.
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