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Hund's Rule-Driven Dzyaloshinskii-Moriya Interaction at 3d-5d Interfaces
A Belabbes1, G Bihlmayer2, F Bechstedt3
1King Abdullah University of Science and Technology (KAUST), Physical Science and Engineering Division (PSE), Thuwal 23955-6900, Saudi Arabia.
The Dzyaloshinskii-Moriya interaction (DMI) in ultrathin films follows Hund's first rule, driven by 3d orbital occupations and spin-orbit coupling. This finding clarifies magnetic chirality trends in advanced magnetic materials.
Area of Science:
- Condensed Matter Physics
- Materials Science
- Quantum Mechanics
Background:
- The Dzyaloshinskii-Moriya interaction (DMI) is crucial for understanding magnetic chirality in materials.
- Predicting DMI trends in ultrathin films remains a challenge.
Purpose of the Study:
- To elucidate the chemical trends and driving forces behind DMI in 3d-5d ultrathin films.
- To establish a connection between DMI, Hund's first rule, and electronic structure.
Main Methods:
- Relativistic first-principles calculations were employed.
- Analysis focused on 3d-5d ultrathin films, including unsupported 3d monolayers and interfaces.
Main Results:
- The chemical trend of DMI was found to follow Hund's first rule, mirroring magnetic moment tendencies.
- 3d orbital occupations and spin-flip mixing with 5d states were identified as key drivers of DMI magnitude and sign.
Conclusions:
- DMI trends in these systems are governed by a combination of spin-orbit coupling, Hund's first rule, and crystal-field splitting.
- This work provides a fundamental understanding of magnetic chirality control in advanced spintronic materials.
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