| Autor: |
Yang, Aiqin, Tao, Xiangru, Quan, Yundi, Zhang, Peng |
| Rok vydání: |
2023 |
| Předmět: |
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| Zdroj: |
Physica B 677, 415706 (2024) |
| Druh dokumentu: |
Working Paper |
| DOI: |
10.1016/j.physb.2024.415706 |
| Popis: |
Motivated by advances in hydrogen-rich superconductors in the past decades, we conducted variable-composition structural searches in Mo-H binary system at high pressure. A new composition-pressure phase diagram of thermodynamically stable structures has been derived. Besides all previously discovered superconducting molybdenum hydrides, we also identified series of thermodynamically metastable superconducting structures, including I4/mmm-Mo$_3$H$_{14}$, I4cm-MoH$_9$, P4/nmm-MoH$_{10}$ and P42$_1$2-MoH$_{10}$, with the superconducting transition temperatures from 55 to 126 K at 300 GPa. In these superconducting molybdenum hydrides, vibrations of the Mo-atoms contributes significantly to the electron-phonon coupling and the superconducting transition temperature, in complementary to the contributions by the vibrations of the H-atoms. Our works highlight the importance of compounds with non-integer composition ratio and metastable states in material searches, for example the potential high temperature superconductors. |
| Databáze: |
arXiv |
| Externí odkaz: |
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