Stacking-controlled magnetic anisotropy switching in bilayer Janus Mn2Cl3Br3
Yanle Liang1, Heng Gao1, Hui Zhang1
1Physics Department, Materials Genome Institute, Shanghai Engineering Research Center for Integrated Circuits and Advanced Display Materials, Institute for Quantum Science and Technology, International Centre of Quantum and Molecular Structures, Shanghai University, Shanghai 200444, China. gaoheng@shu.edu.cn.
Physical Chemistry Chemical Physics : PCCP
|June 18, 2025
Summary
Bilayer Janus Mn2Cl3Br3 shows tunable magnetic anisotropy energy (MAE) switching between in-plane and out-of-plane orientations, driven by stacking and halogen interactions. This discovery is key for designing novel 2D spintronic materials.
Area of Science:
- Condensed Matter Physics
- Materials Science
- Quantum Chemistry
Background:
- Two-dimensional (2D) van der Waals magnets offer tunable electronic and magnetic properties.
- Magnetic anisotropy energy (MAE) is crucial for spintronic device applications.
- Janus materials, with different elements on opposing surfaces, provide unique functionalities.
Purpose of the Study:
- Investigate the tunable magnetic anisotropy energy (MAE) in bilayer Janus Mn2Cl3Br3.
- Understand the influence of stacking configurations and halogen-specific orbital interactions on MAE.
- Explore the potential for designing 2D spintronic materials.
Main Methods:
- Density Functional Theory (DFT) calculations were employed.
- Analysis of stacking configurations (AA and AB) was performed.
- Orbital interactions and magnetic exchange interactions were studied.
Main Results:
- AA stacking in bilayer Janus Mn2Cl3Br3 induces a switchable MAE from in-plane to out-of-plane.
- This switching is attributed to compressed Mn-Br interlayer distance and Br orbital contributions.
- Bilayer Janus Mn2Br3I3 and Mn2Cl3I3 maintain in-plane MAE due to iodine's orbital interactions.
- AA stacking enhances vertical magnetic exchange anisotropy, while AB stacking preserves in-plane MAE.
Conclusions:
- Stacking order and halogen composition critically control MAE in bilayer Janus Mn2Cl3Br3.
- The findings provide a pathway for engineering MAE in 2D van der Waals magnets.
- This research contributes to the design of advanced 2D spintronic materials.
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