Strong electron-phonon coupling and phonon-induced superconductivity in tetragonal C$_3$N$_4$ with hole doping
Abstract
CN is a recently discovered phase of carbon nitrides with the tetragonal crystal structure [D.Laniel , Adv. Mater. 2023, 2308030] that is stable at ambient conditions. CN is a semiconductor exhibiting flat-band anomalies in the valence band, suggesting the emergence of many-body instabilities upon hole doping. Here, using state-of-the-art first-principles calculations we show that hole-doped CN reveals strong electron-phonon coupling, leading to the formation of a gapped superconducting state. The phase transition temperatures turn out to be strongly dependent on the hole concentration. We propose that holes could be injected into CN via boron doping which induces, according to our results, a rigid shift of the Fermi energy without significant modification of the electronic structure. Based on the electron-phonon coupling and Coulomb pseudopotential calculated from first principles, we conclude that the boron concentration of 6 atoms per nm would be required to reach the critical temperature of 36 K at ambient pressure.
Keywords
Cite
@article{arxiv.2308.16507,
title = {Strong electron-phonon coupling and phonon-induced superconductivity in tetragonal C$_3$N$_4$ with hole doping},
author = {Alexander N. Rudenko and Danis I. Badrtdinov and Igor A. Abrikosov and Mikhail I. Katsnelson},
journal= {arXiv preprint arXiv:2308.16507},
year = {2024}
}
Comments
Calculation of the Coulomb pseudopotential revised, which lowered the predicted Tc. Final version: 10 pages incl. Supplemental Material, 10 figures, and 2 tables