Strong electron-phonon coupling and phonon-induced superconductivity in tetragonal C$_3$N$_4$ with hole doping
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| Format: | Preprint |
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2023
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| _version_ | 1866916080876781568 |
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| author | Rudenko, Alexander N. Badrtdinov, Danis I. Abrikosov, Igor A. Katsnelson, Mikhail I. |
| author_facet | Rudenko, Alexander N. Badrtdinov, Danis I. Abrikosov, Igor A. Katsnelson, Mikhail I. |
| contents | C$_3$N$_4$ is a recently discovered phase of carbon nitrides with the tetragonal crystal structure [D.Laniel $\textit{et al.}$, Adv. Mater. 2023, 2308030] that is stable at ambient conditions. C$_3$N$_4$ 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 C$_3$N$_4$ 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 C$_3$N$_4$ 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$^3$ would be required to reach the critical temperature of $\sim$36 K at ambient pressure. |
| format | Preprint |
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arxiv_https___arxiv_org_abs_2308_16507 |
| institution | arXiv |
| publishDate | 2023 |
| record_format | arxiv |
| spellingShingle | Strong electron-phonon coupling and phonon-induced superconductivity in tetragonal C$_3$N$_4$ with hole doping Rudenko, Alexander N. Badrtdinov, Danis I. Abrikosov, Igor A. Katsnelson, Mikhail I. Superconductivity Materials Science C$_3$N$_4$ is a recently discovered phase of carbon nitrides with the tetragonal crystal structure [D.Laniel $\textit{et al.}$, Adv. Mater. 2023, 2308030] that is stable at ambient conditions. C$_3$N$_4$ 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 C$_3$N$_4$ 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 C$_3$N$_4$ 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$^3$ would be required to reach the critical temperature of $\sim$36 K at ambient pressure. |
| title | Strong electron-phonon coupling and phonon-induced superconductivity in tetragonal C$_3$N$_4$ with hole doping |
| topic | Superconductivity Materials Science |
| url | https://arxiv.org/abs/2308.16507 |