| Autor: |
Hongyi Guan, Ying Sun, Hanyu Liu |
| Jazyk: |
angličtina |
| Rok vydání: |
2021 |
| Předmět: |
|
| Zdroj: |
Physical Review Research, Vol 3, Iss 4, p 043102 (2021) |
| Druh dokumentu: |
article |
| ISSN: |
2643-1564 |
| DOI: |
10.1103/PhysRevResearch.3.043102 |
| Popis: |
Pressurized hydrogen-rich compounds, which could be viewed as precompressed metallic hydrogen, exhibit high superconductivity, thereby providing a viable route toward the discovery of high-temperature superconductors. Of particular interest is to search for high-temperature superconductors with low stable pressure in terms of pressure-stabilized hydrides. In this work, with the aim of obtaining high-temperature superconducting compounds at low pressure, we attempt to study the doping effects for high-temperature superconductive H_{3}S with supercells up to 64 atoms using first principle electronic structure simulations. As a result of various doping, we found that Na doping for H_{3}S could lower the dynamically stable pressure by 40 GPa. The results also indicate that P doping could enhance the superconductivity of the H_{3}S system, which is in agreement with previous calculations. Moreover, our work proposed an approach that could reasonably estimate the superconducting critical temperature (T_{c}) of a compound containing a large number of atoms, saving the computational cost significantly for large-scale elements-doping superconductivity simulations. |
| Databáze: |
Directory of Open Access Journals |
| Externí odkaz: |
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