Gespeichert in:
| Hauptverfasser: | , , , |
|---|---|
| Format: | Preprint |
| Veröffentlicht: |
2023
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| Schlagworte: | |
| Online-Zugang: | https://arxiv.org/abs/2307.12404 |
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Inhaltsangabe:
- 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.