Experimental Exchange Interaction Dataset for Magnetic Materials: Spin Waves to MC Simulations
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arXiv
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| Auteurs principaux: | , , , |
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| Format: | Preprint |
| Publié: |
2025
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| _version_ | 1866909799230210048 |
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| author | Alaei, Mojtaba Mosleh, Zahra Rezaei, Nafise Oganov, Artem R. |
| author_facet | Alaei, Mojtaba Mosleh, Zahra Rezaei, Nafise Oganov, Artem R. |
| contents | Inelastic neutron scattering (INS) provides direct insights into microscopic magnetic interactions in crystalline materials, making it a valuable experimental technique in condensed matter physics and materials science. These interactions can be extracted by fitting spin wave dispersions to Heisenberg Hamiltonians using spin wave theory. However, such datasets are scattered across the literature and lack a standardized format, which limits their accessibility, reproducibility, and utility. In this work, we compile and standardize exchange interaction data obtained from INS experiments on nearly 100 magnetic materials. The resulting dataset includes exchange parameters expressed in a unified Heisenberg model format, visualizations of crystal structures with annotated exchange pathways, and Monte Carlo simulation files generated using the ESpinS code. We use these experimentally derived exchange interactions to compute magnetic transition temperatures ($T_c$) via classical Monte Carlo simulations. Furthermore, we examine the impact of the $(S+1)/S$ correction in the simulations and find it improves agreement with experimental $T_c$ values in most cases. All data and related resources are openly available through a public GitHub repository. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2504_15764 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Experimental Exchange Interaction Dataset for Magnetic Materials: Spin Waves to MC Simulations Alaei, Mojtaba Mosleh, Zahra Rezaei, Nafise Oganov, Artem R. Materials Science Inelastic neutron scattering (INS) provides direct insights into microscopic magnetic interactions in crystalline materials, making it a valuable experimental technique in condensed matter physics and materials science. These interactions can be extracted by fitting spin wave dispersions to Heisenberg Hamiltonians using spin wave theory. However, such datasets are scattered across the literature and lack a standardized format, which limits their accessibility, reproducibility, and utility. In this work, we compile and standardize exchange interaction data obtained from INS experiments on nearly 100 magnetic materials. The resulting dataset includes exchange parameters expressed in a unified Heisenberg model format, visualizations of crystal structures with annotated exchange pathways, and Monte Carlo simulation files generated using the ESpinS code. We use these experimentally derived exchange interactions to compute magnetic transition temperatures ($T_c$) via classical Monte Carlo simulations. Furthermore, we examine the impact of the $(S+1)/S$ correction in the simulations and find it improves agreement with experimental $T_c$ values in most cases. All data and related resources are openly available through a public GitHub repository. |
| title | Experimental Exchange Interaction Dataset for Magnetic Materials: Spin Waves to MC Simulations |
| topic | Materials Science |
| url | https://arxiv.org/abs/2504.15764 |