Spin-Phonon Coupling in Transition Metal Insulators: General Computational Approach and Application to MnPSe$_3$
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arXiv
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| Auteurs principaux: | , , , |
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| Format: | Preprint |
| Publié: |
2024
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| _version_ | 1866916307699499008 |
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| author | Dhakal, Ramesh Griffith, Samuel Choi, Kate Winter, Stephen M. |
| author_facet | Dhakal, Ramesh Griffith, Samuel Choi, Kate Winter, Stephen M. |
| contents | Spin-phonon coupling underlies a number of diverse range of phenomena of recent interest, particularly in transition metal insulators with strong spin-orbit effects, where it may give rise to hybrid magnetoelastic excitations, and the controversial phonon thermal Hall effect. In this work, we describe a general approach to the first principles estimation of generic spin-orbit-phonon couplings suitable for investigating these diverse effects. The method is demonstrated by application to study the temperature-dependent optical phonon lineshapes in MnPSe$_3$, for which we find quantitative agreement with recent experiments. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2407_00659 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Spin-Phonon Coupling in Transition Metal Insulators: General Computational Approach and Application to MnPSe$_3$ Dhakal, Ramesh Griffith, Samuel Choi, Kate Winter, Stephen M. Strongly Correlated Electrons Spin-phonon coupling underlies a number of diverse range of phenomena of recent interest, particularly in transition metal insulators with strong spin-orbit effects, where it may give rise to hybrid magnetoelastic excitations, and the controversial phonon thermal Hall effect. In this work, we describe a general approach to the first principles estimation of generic spin-orbit-phonon couplings suitable for investigating these diverse effects. The method is demonstrated by application to study the temperature-dependent optical phonon lineshapes in MnPSe$_3$, for which we find quantitative agreement with recent experiments. |
| title | Spin-Phonon Coupling in Transition Metal Insulators: General Computational Approach and Application to MnPSe$_3$ |
| topic | Strongly Correlated Electrons |
| url | https://arxiv.org/abs/2407.00659 |