Issue 37, 2022

A two-dimensional Be2Au monolayer with planar hexacoordinate s-block metal atoms: a superconducting global minimum Dirac material with two perfect Dirac node-loops

Abstract

Using a starlike Be6Au7 cluster as a building block and following the bottom-up strategy, an intriguing two-dimensional (2D) binary s-block metal Be2Au monolayer with a P6/mmm space group was theoretically designed. Both the Be6Au7 cluster and the 2D monolayer are global minima featuring rule-breaking planar hexacoordinate motifs (anti-van't Hoff/Le Bel arrangement), and their high stabilities are attributed to good electron delocalization and electronic-stabilization-induced steric force. Strikingly, the Be2Au monolayer is a rare Dirac material with two perfect Dirac node-loops in the band structure and is a phonon-mediated superconductor with a critical temperature of 4.0 K. The critical temperature can be enhanced up to 11.0 K by applying compressive strain at only 1.6%. This study not only identifies a new binary s-block metal 2D material, namely Be2Au, which features planar hexacoordination, and a candidate superconducting material for further explorations, but also provides a new strategy to construct 2D materials with novel chemical bonding.

Graphical abstract: A two-dimensional Be2Au monolayer with planar hexacoordinate s-block metal atoms: a superconducting global minimum Dirac material with two perfect Dirac node-loops

Supplementary files

Article information

Article type
Edge Article
Submitted
28 Jun 2022
Accepted
26 Aug 2022
First published
29 Aug 2022
This article is Open Access

All publication charges for this article have been paid for by the Royal Society of Chemistry
Creative Commons BY-NC license

Chem. Sci., 2022,13, 11099-11109

A two-dimensional Be2Au monolayer with planar hexacoordinate s-block metal atoms: a superconducting global minimum Dirac material with two perfect Dirac node-loops

M. Wang, Z. Cui, S. Wang, Q. Li, J. Zhao and Z. Chen, Chem. Sci., 2022, 13, 11099 DOI: 10.1039/D2SC03614B

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