Issue 48, 2023

Superconducting Li11Sb2 electride at ambient pressure

Abstract

The exploration of electrides, especially stabilized at ambient pressure, is of great interest in condensed matter physics due to their intriguing properties induced by interstitial anionic electrons (IAEs). Herein, on the basis of first-principles calculations, we have proposed a novel metastable Li11Sb2 electride, dubbed as C2/m-II phase, which is quenched from pressurized Li11Sb2 with a C2/m-I symmetry through an in-plane Li4 ring rotation mediated by IAEs. The stability of the C2/m-II phase can be attributed to the redistribution of IAEs and reduction of internal energy generated by depressurization. Interestingly, the C2/m-II phase is predicted to possess unexpected superconductivity and an anisotropic work function. The IAE-induced Fermi surface nesting and the resultant acoustic phonon softening play a critical role in the superconductivity. Our study might provide an alternative way to prepare metastable electrides with interesting properties.

Graphical abstract: Superconducting Li11Sb2 electride at ambient pressure

Supplementary files

Article information

Article type
Paper
Submitted
25 Sep 2023
Accepted
17 Nov 2023
First published
20 Nov 2023

J. Mater. Chem. C, 2023,11, 17087-17092

Superconducting Li11Sb2 electride at ambient pressure

Y. Zhao, J. Gao, X. Zhang, S. Ding, Y. Liu and G. Yang, J. Mater. Chem. C, 2023, 11, 17087 DOI: 10.1039/D3TC03485B

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