Crystal Anisotropy Implications on the Magneto-Optical Properties of van der Waals FePS3
Fuente:
arXiv
Salvato in:
| Autori principali: | , , , , , , , , , , , , |
|---|---|
| Natura: | Preprint |
| Pubblicazione: |
2026
|
| Soggetti: | |
| Accesso online: | |
| Tags: |
Aggiungi Tag
Nessun Tag, puoi essere il primo ad aggiungerne!!
|
| _version_ | 1866914486373318656 |
|---|---|
| author | Geraffy, Ellenor Sharma, Kusha Zuri, Shahar Horani, Faris Budniak, Adam K. Dawod, Muhamed Amouyal, Yaron Brumme, Thomas León, Andrea Maricel Heine, Thomas Kumar, Rajesh Naveh, Doron Lifshitz, Efrat |
| author_facet | Geraffy, Ellenor Sharma, Kusha Zuri, Shahar Horani, Faris Budniak, Adam K. Dawod, Muhamed Amouyal, Yaron Brumme, Thomas León, Andrea Maricel Heine, Thomas Kumar, Rajesh Naveh, Doron Lifshitz, Efrat |
| contents | Antiferromagnetic FePS3 has recently gained significant interest in its potential applications in spin-related devices. Here, we show that in-plane structural anisotropy has a major impact in shaping the optical responses of FePS3 single-crystals from the bulk form down to the monolayer limit. X-ray diffraction on a bulk FePS3 crystal confirms a distorted FeS6 octahedron causing inequivalent Fe-Fe distances and consequently resulting in a higher a/b lattice parameter ratio. Micro-photoluminescence observations on bulk and monolayer FePS3 reveal four emissions: one intra-atomic d-d transition (band A, centered at ~1.24 eV) and three p-d charge transfer transitions (bands B, C, and D, centered around ~1.79 eV, ~2.3 eV, and ~2.56 eV, respectively). These bands exhibit different polarization behaviors, which persist down to the monolayer limit. Density functional theory calculations from bulk to monolayer FePS3 reveal the underlying electronic structure, assign the observed emissions, and indicate why these peaks have contrasting linear and circular polarization responses. These results establish a direct structure-optics relation in FePS3, highlighting the strong coupling between lattice anisotropy, electronic transitions, and symmetry-selective optical selection rules. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2604_16912 |
| institution | arXiv |
| publishDate | 2026 |
| record_format | arxiv |
| spellingShingle | Crystal Anisotropy Implications on the Magneto-Optical Properties of van der Waals FePS3 Geraffy, Ellenor Sharma, Kusha Zuri, Shahar Horani, Faris Budniak, Adam K. Dawod, Muhamed Amouyal, Yaron Brumme, Thomas León, Andrea Maricel Heine, Thomas Kumar, Rajesh Naveh, Doron Lifshitz, Efrat Materials Science Antiferromagnetic FePS3 has recently gained significant interest in its potential applications in spin-related devices. Here, we show that in-plane structural anisotropy has a major impact in shaping the optical responses of FePS3 single-crystals from the bulk form down to the monolayer limit. X-ray diffraction on a bulk FePS3 crystal confirms a distorted FeS6 octahedron causing inequivalent Fe-Fe distances and consequently resulting in a higher a/b lattice parameter ratio. Micro-photoluminescence observations on bulk and monolayer FePS3 reveal four emissions: one intra-atomic d-d transition (band A, centered at ~1.24 eV) and three p-d charge transfer transitions (bands B, C, and D, centered around ~1.79 eV, ~2.3 eV, and ~2.56 eV, respectively). These bands exhibit different polarization behaviors, which persist down to the monolayer limit. Density functional theory calculations from bulk to monolayer FePS3 reveal the underlying electronic structure, assign the observed emissions, and indicate why these peaks have contrasting linear and circular polarization responses. These results establish a direct structure-optics relation in FePS3, highlighting the strong coupling between lattice anisotropy, electronic transitions, and symmetry-selective optical selection rules. |
| title | Crystal Anisotropy Implications on the Magneto-Optical Properties of van der Waals FePS3 |
| topic | Materials Science |
| url | https://arxiv.org/abs/2604.16912 |