Experimental Exchange Interaction Dataset for Magnetic Materials: Spin Waves to MC Simulations

Area of Science:

• Condensed matter physics
• Materials science
• Magnetism

Background:

• Inelastic neutron scattering (INS) reveals microscopic magnetic interactions in materials.
• Extracting these interactions involves fitting spin wave dispersions to Heisenberg Hamiltonians.
• Current datasets are fragmented, hindering accessibility and reproducibility.

Purpose of the Study:

• To compile and standardize exchange interaction data from INS experiments.
• To create a unified dataset for nearly 100 magnetic materials.
• To enhance the accessibility and utility of magnetic interaction data.

Main Methods:

• Collected and standardized exchange interaction data from published INS experiments.
• Formatted data using a unified Heisenberg model.
• Generated crystal structure visualizations and Monte Carlo simulation files (ESpinS).

Main Results:

• Developed a comprehensive dataset of experimentally derived exchange interactions.
• Calculated magnetic transition temperatures (Tc) using classical Monte Carlo simulations.
• Demonstrated that the (S+1)/S correction improves agreement between simulated and experimental Tc values.

Conclusions:

• The standardized dataset facilitates research in condensed matter physics and materials science.
• Openly available data and resources promote reproducibility and further investigation.
• The findings offer a valuable resource for understanding and predicting magnetic properties.