Exchange interaction and its tuning in magnetic binary chalcogenides
M. G. Vergniory, D. Thonig, M. Hoffmann, I. V. Maznichenko, M., Geilhufe, M. M. Otrokov, X. Zubizarreta, S. Ostanin, A. Marmodoro, J. Henk,, W. Hergert, I. Mertig, E. V. Chulkov, and A. Ernst
TL;DR
This study uses first-principles calculations to analyze magnetic interactions in binary chalcogenides, revealing long-range coupling mechanisms and aligning well with experimental Curie temperatures, aiding future material design.
Contribution
It identifies the dominant magnetic interaction mechanisms and demonstrates how these can be tuned in magnetic binary chalcogenides using a first-principles Green's function approach.
Findings
Magnetic coupling extends beyond a quintuple layer.
Two main mechanisms: carrier-mediated and chalcogen-mediated interactions.
Calculated Curie temperatures match experimental data.
Abstract
Using a first-principles Green's function approach we study magnetic properties of the magnetic binary chalcogenides Bi2Te3, Bi2Se3, and Sb2Te3. The magnetic coupling between transition-metal impurities is long-range, extends beyond a quintuple layer, and decreases with increasing number of d electrons per 3d atom. We find two main mechanisms for the magnetic interaction in these materials: the indirect exchange interaction mediated by free carriers and the indirect interaction between magnetic moments via chalcogen atoms. The calculated Curie temperatures of these systems are in good agreement with available experimental data. Our results provide deep insight into magnetic interactions in magnetic binary chalcogenides and open a way to design new materials for promising applications.
Peer Reviews
No public reviews on file for this paper yet. If you reviewed it on a platform where reviews are public (OpenReview, ICLR, NeurIPS, ICML), you can paste yours below so the community can read it here.
Videos
No videos yet. Explain this paper in a talk, walkthrough, or lecture? Add one.