Polymorphism of monatomic iodine
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arXiv
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| Auteurs principaux: | , , , , , , , , , , |
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| Format: | Preprint |
| Publié: |
2024
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| _version_ | 1866912058614743040 |
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| author | Goncharov, Alexander F. Chen, Huawei Batyrev, Iskander G. Bykov, Maxim Brüning, Lukas Bykova, Elena Kovalev, Valentin Mahmood, Mohammad F. Mezouar, Mohamed Garbarino, Gaston Wright, Jonathan |
| author_facet | Goncharov, Alexander F. Chen, Huawei Batyrev, Iskander G. Bykov, Maxim Brüning, Lukas Bykova, Elena Kovalev, Valentin Mahmood, Mohammad F. Mezouar, Mohamed Garbarino, Gaston Wright, Jonathan |
| contents | We applied synchrotron single-crystal X-ray diffraction in a diamond anvil cell at 48-51 GPa and first-principles theoretical calculations to study the crystal structure of solid atomic iodine at high pressure. We report the synthesis of two phases of atomic iodine at 48-51 GPa via laser heating of I-N2 mixtures. Unlike the familiar monatomic I4/mmm structure, which consists of crystallographically equivalent atoms, a new Pm-3n structure is of inclusion type, featuring two distinct kinds of atoms: a central detached one and peripheral ones forming the linear chains. Moreover, we observe crystallization of the familiar high-pressure face centered cubic (fcc) structure, albeit at much lower pressures compared to cold compressed iodine. The discovery of Pm-3n structure in iodine marks an important step in understanding of the pressure induced phase transition sequence in halogens. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2410_03468 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Polymorphism of monatomic iodine Goncharov, Alexander F. Chen, Huawei Batyrev, Iskander G. Bykov, Maxim Brüning, Lukas Bykova, Elena Kovalev, Valentin Mahmood, Mohammad F. Mezouar, Mohamed Garbarino, Gaston Wright, Jonathan Materials Science We applied synchrotron single-crystal X-ray diffraction in a diamond anvil cell at 48-51 GPa and first-principles theoretical calculations to study the crystal structure of solid atomic iodine at high pressure. We report the synthesis of two phases of atomic iodine at 48-51 GPa via laser heating of I-N2 mixtures. Unlike the familiar monatomic I4/mmm structure, which consists of crystallographically equivalent atoms, a new Pm-3n structure is of inclusion type, featuring two distinct kinds of atoms: a central detached one and peripheral ones forming the linear chains. Moreover, we observe crystallization of the familiar high-pressure face centered cubic (fcc) structure, albeit at much lower pressures compared to cold compressed iodine. The discovery of Pm-3n structure in iodine marks an important step in understanding of the pressure induced phase transition sequence in halogens. |
| title | Polymorphism of monatomic iodine |
| topic | Materials Science |
| url | https://arxiv.org/abs/2410.03468 |