期刊
JOURNAL OF MATERIALS CHEMISTRY C
卷 7, 期 36, 页码 11184-11190出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c9tc03657a
关键词
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资金
- National Natural Science Foundation of China [11904142, 11804128, 11804129, 11722433, 11404148]
- Qing Lan Project
- Six Talent Peaks Project of Jiangsu Province
- Postgraduate Research & Practice Innovation Program of Jiangsu Province
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 similar to 8.3% lattice mismatch to obtain superconductive t-YS experimentally. The findings will enrich two-dimensional superconductors and stimulate immediate experimental interest.
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