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Published on: May 15, 2017
Switching interlayer magnetic order in bilayer CrI3 by stacking reversal.
Xiangru Kong1, Hongkee Yoon2, Myung Joon Han2
1Center for Nanophase Materials Sciences, Oak Ridge National Laboratory (ORNL), Oak Ridge, Tennessee 37831, USA. liangl1@ornl.gov.
Stacking rotation in bilayer chromium triiodide (CrI3) can switch its magnetic order between ferromagnetic and antiferromagnetic states. This discovery offers new ways to control magnetism in two-dimensional materials.
Area of Science:
- Condensed Matter Physics
- Materials Science
- Quantum Magnetism
Background:
- Two-dimensional (2D) magnetic materials like chromium triiodide (CrI3) show complex magnetic behaviors influenced by layer count and stacking.
- Interlayer magnetism in bilayer CrI3 can be tuned between ferromagnetic (FM) and antiferromagnetic (AFM) states, typically via layer translation.
Purpose of the Study:
- To investigate the effect of layer rotation on the interlayer magnetic order in bilayer CrI3.
- To explore stacking patterns beyond simple translation, specifically focusing on 180° rotations.
Main Methods:
- First-principles calculations were employed to analyze energetically stable stacking patterns (R3̄, C2/m, AA) and their rotated counterparts.
- Magnetic force theory and specific orbital analysis were used to understand the microscopic origins of magnetic interactions.
Main Results:
- Stacking rotation was found to effectively switch the interlayer magnetic ground state between AFM and FM orders.
- Analysis revealed distinct magnetic properties for C2/m (AFM) and C2/m-r (FM) stacking patterns.
- Microscopic insights into interlayer magnetic interactions and the origins of magnetic order changes were obtained.
Conclusions:
- Stacking rotation is a viable method for tuning the interlayer magnetism in bilayer CrI3.
- This study provides a deeper understanding of the microscopic mechanisms governing magnetic order in 2D magnets.
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