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Computational design of a new layered superconductor LaOTlF2
- Publication Year :
- 2021
-
Abstract
- A new layered compound LaOTlF2 is designed and investigated using first-principles calculations in this work. The parent compound is an insulator with an indirect band gap of 2.65 eV. Electron-doping of the parent compound makes the material metallic. In the meantime, several lattice vibrational modes couple strongly to the conduction band, leading to a large electron-phonon coupling constant and conventional superconductivity. The highest superconducting transition temperature Tc is predicted to be approximately 8.6 K with {\lambda} about 1.25 in the optimally doped LaO0.95F0.05TlF2, where {\lambda} is calculated using the Wannier interpolation technique.<br />Comment: 7 pages, 7 figures
- Subjects :
- Condensed Matter - Superconductivity
Physics - Computational Physics
Subjects
Details
- Database :
- arXiv
- Publication Type :
- Report
- Accession number :
- edsarx.2112.10687
- Document Type :
- Working Paper
- Full Text :
- https://doi.org/10.1039/D1CP05518F