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| Main Authors: | , , , , , , |
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| Format: | Preprint |
| Published: |
2024
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| Subjects: | |
| Online Access: | https://arxiv.org/abs/2404.07758 |
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| _version_ | 1866910406163824640 |
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| author | Lavina, Barbara Zanardi, Enrique Mujica, Andrés Cynn, Hyunchae Meng, Yue Prakapenka, Vitali Smith, Jesse S. |
| author_facet | Lavina, Barbara Zanardi, Enrique Mujica, Andrés Cynn, Hyunchae Meng, Yue Prakapenka, Vitali Smith, Jesse S. |
| contents | The pressure-induced polymorphism of binary octect compounds has long been considered a settled problem although the possible atomic disordering of some phases remains a puzzling observation. Taking GaP as a case study, we conclude, through x-ray microdiffraction and first-principles calculations, that its high-pressure phase II (previously reported as being disordered) adopts in fact an ordered base-centered monoclinic structure previously unknown in this class of compounds. The formation of layered patterns with variable degrees of interlayer dimerization, as observed in GaP, marks a paradigm shift of our understanding of ordering in octect high-pressure phases which calls for a more extensive re-examination. A rich polymorphism with fine tuning of chemical and physical properties can be envisioned. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2404_07758 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Low-symmetry polymorph of GaP upends bonding paradigms of metallic high-pressure III-V compounds Lavina, Barbara Zanardi, Enrique Mujica, Andrés Cynn, Hyunchae Meng, Yue Prakapenka, Vitali Smith, Jesse S. Materials Science Chemical Physics The pressure-induced polymorphism of binary octect compounds has long been considered a settled problem although the possible atomic disordering of some phases remains a puzzling observation. Taking GaP as a case study, we conclude, through x-ray microdiffraction and first-principles calculations, that its high-pressure phase II (previously reported as being disordered) adopts in fact an ordered base-centered monoclinic structure previously unknown in this class of compounds. The formation of layered patterns with variable degrees of interlayer dimerization, as observed in GaP, marks a paradigm shift of our understanding of ordering in octect high-pressure phases which calls for a more extensive re-examination. A rich polymorphism with fine tuning of chemical and physical properties can be envisioned. |
| title | Low-symmetry polymorph of GaP upends bonding paradigms of metallic high-pressure III-V compounds |
| topic | Materials Science Chemical Physics |
| url | https://arxiv.org/abs/2404.07758 |