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| Autori principali: | , , , , , , , , |
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| Natura: | Preprint |
| Pubblicazione: |
2025
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| Soggetti: | |
| Accesso online: | https://arxiv.org/abs/2506.13526 |
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| _version_ | 1866915346763481088 |
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| author | Sun, Baihong Grazhdannikov, Sergei Dawod, Muhamed He, Lunhua Hao, Jiazheng Meier, Thomas Yao, Yansun Amouyal, Yaron Stavrou, Elissaios |
| author_facet | Sun, Baihong Grazhdannikov, Sergei Dawod, Muhamed He, Lunhua Hao, Jiazheng Meier, Thomas Yao, Yansun Amouyal, Yaron Stavrou, Elissaios |
| contents | We present a combined X-ray and neutron diffraction, Raman spectroscopy, and 121Sb NMR studies of AgSbTe2, supported by first-principles calculations aiming to elucidate its crystal structure. While diffraction methods cannot unambiguously resolve the structure, Raman and NMR data, together with electric field gradient calculations, strongly support the rhombohedral R-3m phase. Moreover, the agreement between experimental and calculated Raman spectra further corroborates this result, resolving the 60-year sold debate about the exact crystal structure of the AgSbTe2 compound. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2506_13526 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | On the ambient conditions crystal structure of AgSbTe2 Sun, Baihong Grazhdannikov, Sergei Dawod, Muhamed He, Lunhua Hao, Jiazheng Meier, Thomas Yao, Yansun Amouyal, Yaron Stavrou, Elissaios Materials Science We present a combined X-ray and neutron diffraction, Raman spectroscopy, and 121Sb NMR studies of AgSbTe2, supported by first-principles calculations aiming to elucidate its crystal structure. While diffraction methods cannot unambiguously resolve the structure, Raman and NMR data, together with electric field gradient calculations, strongly support the rhombohedral R-3m phase. Moreover, the agreement between experimental and calculated Raman spectra further corroborates this result, resolving the 60-year sold debate about the exact crystal structure of the AgSbTe2 compound. |
| title | On the ambient conditions crystal structure of AgSbTe2 |
| topic | Materials Science |
| url | https://arxiv.org/abs/2506.13526 |