Issue 36, 2019

Prediction of strain-induced phonon-mediated superconductivity in monolayer YS

Abstract

The search for two-dimensional superconductors has attracted increasing interest because of their potential applications in constructing nanoscale superconducting devices. Through swarm-intelligence based CALYPSO method and the first-principles calculations, we have identified a monolayer structure for yttrium sulfide (t-YS), which is energetically and dynamically stable. The application of biaxial strain turns t-YS to a Bardeen–Cooper–Schrieffer superconductor, which mainly originates from the softening of in-plane modes of Y atoms. The superconducting critical temperature increases monotonously with strain, which reaches 6 K at a maximum strain of 10%. Calculations show that doping at 0.3 holes per unit cell based on a strain of 10% could further enhance the superconductivity to 7.3 K. Simulations have helped to propose a candidate substrate with ∼8.3% lattice mismatch to obtain superconductive t-YS experimentally. The findings will enrich two-dimensional superconductors and stimulate immediate experimental interest.

Graphical abstract: Prediction of strain-induced phonon-mediated superconductivity in monolayer YS

Supplementary files

Article information

Article type
Paper
Submitted
06 7 2019
Accepted
19 8 2019
First published
20 8 2019

J. Mater. Chem. C, 2019,7, 11184-11190

Prediction of strain-induced phonon-mediated superconductivity in monolayer YS

Z. Qu, S. Lin, M. Xu, J. Hao, J. Shi, W. Cui and Y. Li, J. Mater. Chem. C, 2019, 7, 11184 DOI: 10.1039/C9TC03657A

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