Sodalite-like carbon based superconductors with Tc about 77 K at ambient pressure

Siyu Jin, Xiaoyu Kuang, Xilong Dou, Andreas Hermann*, Cheng Lu

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

Abstract

The attainment of superconductivity at room temperature is a longstanding aspiration for both experimental and theoretical scientists. Materials exhibiting superconductivity under ambient conditions would have significant applications. Here, we report two metastable phases of sodalite-like carbon based superconductors, GaC6 and GeC6, at ambient pressure using the CALYPSO structural search method and first-principles calculations. Our calculations reveal that both GaC6 and GeC6 compounds have Im[3 with combining macron]m symmetry and are dynamically stable at ambient pressure with Tc values up to the boiling point of liquid nitrogen. The underlying mechanisms indicate that the guest Ga and Ge atoms play a dual role in enhancing the structural stability and concurrently acting as electron donors, thereby modulating the electronic properties of the C24 covalent frameworks, i.e. from insulating states to superconducting states. The present results offer insights into the exploration of novel high temperature superconductors under ambient conditions.
Original languageEnglish
Article numberd3tc04096h
Number of pages7
JournalJournal of Materials Chemistry C
Volume2024
DOIs
Publication statusPublished - 18 Dec 2023

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