High-temperature-phase Bi4RhI2: electronic localization by structural distortion
The metal-rich compound Bi4RhI2 was discovered in a thorough investigation of the Bi-Rh-I phase system. The monoclinic crystal structure was solved via single-crystal X-ray diffraction. It consists of infinite strands of face-sharing distorted square antiprisms ∞1[RhBi8/2]2+, which are separated by...
| Váldodahkkit: | , |
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| Materiálatiipa: | Journal article |
| Giella: | English |
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American Chemical Society
2018
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| _version_ | 1826293850875887616 |
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| author | Rasche, B Ruck, M |
| author_facet | Rasche, B Ruck, M |
| author_sort | Rasche, B |
| collection | OXFORD |
| description | The metal-rich compound Bi4RhI2 was discovered in a thorough investigation of the Bi-Rh-I phase system. The monoclinic crystal structure was solved via single-crystal X-ray diffraction. It consists of infinite strands of face-sharing distorted square antiprisms ∞1[RhBi8/2]2+, which are separated by iodide ions. Bi4RhI2 is the high-temperature phase related to the weak three-dimensional topological insulator Bi14Rh3I9 (Bi4.67RhI3) and forms peritectically at 441 °C, where Bi14Rh3I9 decomposes. The structure of Bi4RhI2 is compared with Bi4RuI2 and Bi9Rh2I3, all three sharing a similar intermetallic strand-like structure, although their overall count of valence electrons differs. A chemical bonding analysis of Bi4RhI2 via the electron localizability indicator reveals a complex bonding pattern with covalent bonds between rhodium and bismuth, as well as between bismuth atoms and suggests a possible explanation for the formation of this structure type. Band structure calculations indicate a narrow band gap of 157 meV, which was verified by resistivity measurements on a pressed powder pellet and on single crystals. In a broader context, this strandlike structure type accounts for unusual physical phenomena, such as the transition into a charge-density-wave phase. |
| first_indexed | 2024-03-07T03:36:31Z |
| format | Journal article |
| id | oxford-uuid:bc7b18c7-21c8-4d2e-a80b-de9567a5e171 |
| institution | University of Oxford |
| language | English |
| last_indexed | 2024-03-07T03:36:31Z |
| publishDate | 2018 |
| publisher | American Chemical Society |
| record_format | dspace |
| spelling | oxford-uuid:bc7b18c7-21c8-4d2e-a80b-de9567a5e1712022-03-27T05:24:35ZHigh-temperature-phase Bi4RhI2: electronic localization by structural distortionJournal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:bc7b18c7-21c8-4d2e-a80b-de9567a5e171EnglishSymplectic Elements at OxfordAmerican Chemical Society2018Rasche, BRuck, MThe metal-rich compound Bi4RhI2 was discovered in a thorough investigation of the Bi-Rh-I phase system. The monoclinic crystal structure was solved via single-crystal X-ray diffraction. It consists of infinite strands of face-sharing distorted square antiprisms ∞1[RhBi8/2]2+, which are separated by iodide ions. Bi4RhI2 is the high-temperature phase related to the weak three-dimensional topological insulator Bi14Rh3I9 (Bi4.67RhI3) and forms peritectically at 441 °C, where Bi14Rh3I9 decomposes. The structure of Bi4RhI2 is compared with Bi4RuI2 and Bi9Rh2I3, all three sharing a similar intermetallic strand-like structure, although their overall count of valence electrons differs. A chemical bonding analysis of Bi4RhI2 via the electron localizability indicator reveals a complex bonding pattern with covalent bonds between rhodium and bismuth, as well as between bismuth atoms and suggests a possible explanation for the formation of this structure type. Band structure calculations indicate a narrow band gap of 157 meV, which was verified by resistivity measurements on a pressed powder pellet and on single crystals. In a broader context, this strandlike structure type accounts for unusual physical phenomena, such as the transition into a charge-density-wave phase. |
| spellingShingle | Rasche, B Ruck, M High-temperature-phase Bi4RhI2: electronic localization by structural distortion |
| title | High-temperature-phase Bi4RhI2: electronic localization by structural distortion |
| title_full | High-temperature-phase Bi4RhI2: electronic localization by structural distortion |
| title_fullStr | High-temperature-phase Bi4RhI2: electronic localization by structural distortion |
| title_full_unstemmed | High-temperature-phase Bi4RhI2: electronic localization by structural distortion |
| title_short | High-temperature-phase Bi4RhI2: electronic localization by structural distortion |
| title_sort | high temperature phase bi4rhi2 electronic localization by structural distortion |
| work_keys_str_mv | AT rascheb hightemperaturephasebi4rhi2electroniclocalizationbystructuraldistortion AT ruckm hightemperaturephasebi4rhi2electroniclocalizationbystructuraldistortion |