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Identifying Band Structure Changes of FePS3 across the Antiferromagnetic Phase Transition
Benjamin Pestka1, Jeff Strasdas1, Gustav Bihlmayer2
1II. Institute of Physics B and JARA-FIT, RWTH-Aachen University, Aachen 52074, Germany.
ACS Nano
|November 26, 2024
Summary
Magnetic 2D materials like FePS3 show strong magnetoelastic coupling. Studying its band structure reveals how sulfur, iron, and phosphorus atoms collectively influence magnetic transitions.
Area of Science:
- Condensed Matter Physics
- Materials Science
- Magnetism
Background:
- Two-dimensional (2D) van der Waals materials offer tunable magnetic properties.
- FePS3 is an antiferromagnetic material with significant magnetoelastic coupling.
- This coupling arises from competing magnetic exchange interactions.
Purpose of the Study:
- To investigate the interplay of magnetic exchange interactions in FePS3.
- To understand the role of different atomic orbitals in the magnetic phase transition.
- To elucidate the mechanism behind the magnetoelastic coupling in FePS3.
Main Methods:
- Exfoliation of 2D FePS3 material.
- μm-scale Angle-Resolved Photoelectron Spectroscopy (ARPES) measurements above and below the Néel temperature (TN).
- Comparison with Density Functional Theory (DFT + U) calculations for band structure attribution.
Main Results:
- Observed three distinct changes in the electronic band structure across the magnetic phase transition.
- Identified contributions from Sulfur (S) 3p, Iron (Fe) 3d, and Phosphorus (P) 3p bands.
- Correlated these band structure changes with the Néel temperature.
Conclusions:
- All constituent atoms (S, Fe, P) are involved in the magnetic phase transition of FePS3.
- The study provides evidence for complex exchange paths influencing magnetic properties.
- Findings contribute to understanding magnetoelastic coupling in 2D magnetic materials.
Keywords:
angular resolved photoelectron spectroscopydensity functional theorylayered magnetismmagnetic 2D materialstransition metal phosphorus trisulfides.More Related Videos
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