Nonmagnetic Ground State of Rutile RuO$_2$ from Diffusion Quantum Monte Carlo
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arXiv
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| Main Authors: | , , , |
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| Format: | Preprint |
| Published: |
2026
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| _version_ | 1866914401838170112 |
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| author | Ahn, Jeonghwan Kang, Seoung-Hun Ganesh, Panchapakesan Krogel, Jaron T. |
| author_facet | Ahn, Jeonghwan Kang, Seoung-Hun Ganesh, Panchapakesan Krogel, Jaron T. |
| contents | Rutile RuO$_2$ has been proposed as an altermagnet, but its bulk magnetic ground state is still under debate because density-functional calculations give conflicting predictions. Using fixed-node diffusion quantum Monte Carlo, we find that stoichiometric bulk RuO$_2$ is nonmagnetic in the pristine structure, lying 23(9) meV per formula unit below the lowest antiferromagnetic state considered. A 3$\%$ compressive strain instead stabilizes antiferromagnetism, placing RuO$_2$ near a strain-tunable magnetic instability and helping reconcile apparently conflicting experimental reports. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2603_16125 |
| institution | arXiv |
| publishDate | 2026 |
| record_format | arxiv |
| spellingShingle | Nonmagnetic Ground State of Rutile RuO$_2$ from Diffusion Quantum Monte Carlo Ahn, Jeonghwan Kang, Seoung-Hun Ganesh, Panchapakesan Krogel, Jaron T. Materials Science Rutile RuO$_2$ has been proposed as an altermagnet, but its bulk magnetic ground state is still under debate because density-functional calculations give conflicting predictions. Using fixed-node diffusion quantum Monte Carlo, we find that stoichiometric bulk RuO$_2$ is nonmagnetic in the pristine structure, lying 23(9) meV per formula unit below the lowest antiferromagnetic state considered. A 3$\%$ compressive strain instead stabilizes antiferromagnetism, placing RuO$_2$ near a strain-tunable magnetic instability and helping reconcile apparently conflicting experimental reports. |
| title | Nonmagnetic Ground State of Rutile RuO$_2$ from Diffusion Quantum Monte Carlo |
| topic | Materials Science |
| url | https://arxiv.org/abs/2603.16125 |