Novel Superconducting Ternary Hydrides under High Pressure
Fuente:
arXiv
Guardado en:
| Autores principales: | , , , , , |
|---|---|
| Formato: | Preprint |
| Publicado: |
2024
|
| Materias: | |
| Acceso en línea: | |
| Etiquetas: |
Agregar Etiqueta
Sin Etiquetas, Sea el primero en etiquetar este registro!
|
| _version_ | 1866917840649453568 |
|---|---|
| author | Zhu, Bangshuai Shao, Dexi Pei, Cuiying Wang, Qi Wu, Juefei Qi, Yanpeng |
| author_facet | Zhu, Bangshuai Shao, Dexi Pei, Cuiying Wang, Qi Wu, Juefei Qi, Yanpeng |
| contents | The abundant chemical compositions in ternary hydrides bring much more possibility to explore high temperature superconductors under lower pressure. Here we constructed 115 ternary hydrides on the basis of the elements substitution using 16 metal elements within 5 reported prototype structures. We conducted a three-step approach to screen and study these candidate structures in the aspects of dynamical stability, formation energy and relative enthalpy, respectively. Based on this approach, we found three meta-stable compounds with hydrogen clathrate cages in the space group of P-3m1, including Y2CdH18, Y2InH18 and Ca2SnH18. All of the structures are superconductive under high pressure with Tc above 110 K, which is larger than the superconductive temperature of liquid nitrogen. Our study enriches the database of novel ternary hydrides under high pressure, and provides insight for future theoretical and experimental researches. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2411_11674 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Novel Superconducting Ternary Hydrides under High Pressure Zhu, Bangshuai Shao, Dexi Pei, Cuiying Wang, Qi Wu, Juefei Qi, Yanpeng Superconductivity Materials Science The abundant chemical compositions in ternary hydrides bring much more possibility to explore high temperature superconductors under lower pressure. Here we constructed 115 ternary hydrides on the basis of the elements substitution using 16 metal elements within 5 reported prototype structures. We conducted a three-step approach to screen and study these candidate structures in the aspects of dynamical stability, formation energy and relative enthalpy, respectively. Based on this approach, we found three meta-stable compounds with hydrogen clathrate cages in the space group of P-3m1, including Y2CdH18, Y2InH18 and Ca2SnH18. All of the structures are superconductive under high pressure with Tc above 110 K, which is larger than the superconductive temperature of liquid nitrogen. Our study enriches the database of novel ternary hydrides under high pressure, and provides insight for future theoretical and experimental researches. |
| title | Novel Superconducting Ternary Hydrides under High Pressure |
| topic | Superconductivity Materials Science |
| url | https://arxiv.org/abs/2411.11674 |