Superconductivity in RbH$_{12}$ at low pressures: an \emph{ab initio} study
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arXiv
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| Autori principali: | , , , |
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| Natura: | Preprint |
| Pubblicazione: |
2025
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| _version_ | 1866913131269193728 |
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| author | Dangić, Đorđe Alkorta, Manex Fang, Yuewen Errea, Ion |
| author_facet | Dangić, Đorđe Alkorta, Manex Fang, Yuewen Errea, Ion |
| contents | High-pressure polyhydrides are leading contenders for room temperature superconductivity. The next frontier lies in stabilizing them at ambient pressure, which would allow their practical applications. In this first-principles computational study, we investigate the potential for record-low pressure stabilization of binary superhydrides within the RbH$_{12}$ system including lattice quantum anharmonic effects in the calculations. We identify five competing phases for the pressure range between 0 and 100 GPa. Incorporating anharmonic and quantum effects on ion dynamics, we find the $Immm$ and $P6_3/mmc$ phases to be the most probable, potentially metastable even at pressures as low as 10 GPa. Notably, all phases exhibit metallic properties, with critical temperatures between 46 and 111 K within the pressure range they are dynamically stable. These findings have the potential to inspire future experimental exploration of high-temperature superconductivity at low pressures in Rb-H binary compounds. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2507_12183 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Superconductivity in RbH$_{12}$ at low pressures: an \emph{ab initio} study Dangić, Đorđe Alkorta, Manex Fang, Yuewen Errea, Ion Superconductivity High-pressure polyhydrides are leading contenders for room temperature superconductivity. The next frontier lies in stabilizing them at ambient pressure, which would allow their practical applications. In this first-principles computational study, we investigate the potential for record-low pressure stabilization of binary superhydrides within the RbH$_{12}$ system including lattice quantum anharmonic effects in the calculations. We identify five competing phases for the pressure range between 0 and 100 GPa. Incorporating anharmonic and quantum effects on ion dynamics, we find the $Immm$ and $P6_3/mmc$ phases to be the most probable, potentially metastable even at pressures as low as 10 GPa. Notably, all phases exhibit metallic properties, with critical temperatures between 46 and 111 K within the pressure range they are dynamically stable. These findings have the potential to inspire future experimental exploration of high-temperature superconductivity at low pressures in Rb-H binary compounds. |
| title | Superconductivity in RbH$_{12}$ at low pressures: an \emph{ab initio} study |
| topic | Superconductivity |
| url | https://arxiv.org/abs/2507.12183 |