Physics

Superconductivity in unconventional metals

Z. Yang, H. Sheng, et al.

This groundbreaking research conducted by Zhilong Yang, Haohao Sheng, Zhaopeng Guo, Ruihan Zhang, Quansheng Wu, Hongming Weng, Zhong Fang, and Zhijun Wang reveals the unconventional metallic nature of 1H/2H-phase transition metal dichalcogenides MX₂. The study predicts superconductivity in specific monolayers and bulk materials, pointing to the potential for discovering new superconductors through unconventional metallic properties.

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Abstract

Based on first-principles calculations, this paper demonstrates that 1H/2H-phase transition metal dichalcogenides MX₂ (M = Nb, Ta; X = S, Se, Te) are unconventional metals with an empty-site band at the Fermi level. Calculations predict superconductivity (SC) in NbSe₂, TaNS monolayer (Tc = 10 K), and 2H-TaN₂ bulk (Tc = 26 K), attributed to a soft phonon mode and strong electron-phonon coupling stemming from the partially filled empty-site band. These findings suggest unconventional metals with partially filled empty-site bands are a promising platform for superconductor discovery.

Publisher

npj Computational Materials

Published On

Jan 30, 2024

Authors

Zhilong Yang, Haohao Sheng, Zhaopeng Guo, Ruihan Zhang, Quansheng Wu, Hongming Weng, Zhong Fang, Zhijun Wang