Academic Journal
Electron phonon coupling and superconductivity in α-MoB₂ as a function of pressure
| العنوان: | Electron phonon coupling and superconductivity in α-MoB₂ as a function of pressure |
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| المؤلفون: | Carmona-Galván, M-A., Heid, R., De la Peña-Seaman, O. |
| المصدر: | Physica Scripta, 98 (11), Art.-Nr.: 115975 ; ISSN: 0031-8949, 1402-4896 |
| بيانات النشر: | Royal Swedish Academy of Sciences |
| سنة النشر: | 2023 |
| المجموعة: | KITopen (Karlsruhe Institute of Technologie) |
| مصطلحات موضوعية: | ddc:530, Physics, info:eu-repo/classification/ddc/530 |
| الوصف: | We have studied the lattice dynamics, electron-phonon coupling, and superconducting properties of α-MoB2, as a function of applied pressure, within the framework of density functional perturbation theory using a mixed-basis pseudopotential method. We found that phonon modes located along the A−H, H−L, and L−A high-symmetry paths exhibit large phonon linewidths and contribute significantly to the electron-phonon coupling constant. Although linewidths are particularly large for the highest-frequency optical phonon modes (dominated by B vibrations), their contribution to the electron-phonon coupling constant is marginal. The latter is largely controlled by the acoustic low-frequency modes of predominantly Mo character. It was observed that at a pressure of 90 GPa, where α-MoB2 forms, the phonon-mediated pairing falls into the strong-coupling regime, and the estimate for the superconducting critical temperature Tc agrees well with experimental observations. When further increasing the applied pressure, a reduction of Tc is predicted, which correlates with a hardening of the acoustic low-frequency phonon modes and a decrease of the electron-phonon coupling parameter. |
| نوع الوثيقة: | article in journal/newspaper |
| وصف الملف: | application/pdf |
| اللغة: | English |
| Relation: | info:eu-repo/semantics/altIdentifier/wos/001096178700001; info:eu-repo/semantics/altIdentifier/issn/0031-8949; info:eu-repo/semantics/altIdentifier/issn/1402-4896; https://publikationen.bibliothek.kit.edu/1000164200; https://publikationen.bibliothek.kit.edu/1000164200/152613270; https://doi.org/10.5445/IR/1000164200 |
| DOI: | 10.5445/IR/1000164200 |
| الاتاحة: | https://publikationen.bibliothek.kit.edu/1000164200 https://publikationen.bibliothek.kit.edu/1000164200/152613270 https://doi.org/10.5445/IR/1000164200 |
| Rights: | https://creativecommons.org/licenses/by-nc-nd/4.0/deed.de ; info:eu-repo/semantics/embargoedAccess |
| رقم الانضمام: | edsbas.4E8B1D1D |
| قاعدة البيانات: | BASE |
| DOI: | 10.5445/IR/1000164200 |
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