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titile : ABACUS Can Also Do This? Helping to Understand the Layer-Dependence of Magnetic Anisotropy in 2D Magnetic Materials
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titile : "ABACUS Can Also Do This? Helping to Understand the Layer-Dependence of Magnetic Anisotropy in 2D Magnetic Materials"
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date : 2025-04-16
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categories :
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- ABACUS
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## Conclusion
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This study reveals the key role of interlayer coupling in regulating the direction of the easy magnetization axis of 2D magnetic materials. Through the MAE analysis of atomic and orbital decomposition, it is found that non-metal Se atoms, especially the occupation and coupling of their p orbitals, play a core role in the rotation of the easy magnetization axis. These findings not only deepen the understanding of the physical mechanism of magnetic anisotropy in 2D magnets but also provide a theoretical basis and material foundation for the design of future spintronic devices.
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This study reveals the key role of interlayer coupling in regulating the direction of the easy magnetization axis of 2D magnetic materials. Through the MAE analysis of atomic and orbital decomposition, it is found that non-metal Se atoms, especially the occupation and coupling of their p orbitals, play a core role in the rotation of the easy magnetization axis. These findings not only deepen the understanding of the physical mechanism of magnetic anisotropy in 2D magnets but also provide a theoretical basis and material foundation for the design of future spintronic devices.

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