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TT: Fachverband Tiefe Temperaturen
TT 50: Superconductivity: Theory II
TT 50.6: Talk
Wednesday, March 20, 2024, 16:15–16:30, H 3005
High-Tc phononic superconductivity at room pressure: Insights from ab initio simulations — •Antonio Sanna1, Camilla Pellegrini1, Miguel A. L. Marques2, and Tiago Cerqueira3 — 1Max-Planck-Institut für Mikrostrukturphysik, Halle, Germany — 2CFisUC, Department of Physics, University of Coimbra, Portugal — 3Ruhr University Bochum, Germany
The recent discovery of near room temperature conventional superconductivity at high pressure has triggered an intense search for new phonon-mediated superconductors, which is driven and led by modern computational techniques.
While room temperature and even hot-superconductivity appears to be likely possible under pressure, it is not yet clear if these extreme superconducting states can be achieved at room pressure.
We present the ab initio SCDFT and Eliashberg[1,2] characterization of several superconductors which have been predicted by means of an extensive high throughput scan involving over 200 000 stable or nealy-stable metallic compounds[3]. Although none of the predicted materials have critical temperatures above 100K, several are comparable or even superior to MgB2. The analysis of these materials and the extensive high throughput data is used to estimate the likelihood of finding new technologically useful phononic superconductors via high-throughput search.
[1] Sanna et al., Phys. Rev. B 108 (2023) 064511
[2] Pellegrini et al., J. Phys. Mater. 5 (2022) 024007
[3] Cerqueira et al., adma.202307085 (2023)
Keywords: Ab initio superconductivity; High Throughput search; phononic superconductors; Eliashberg theory; Density Functional Theory