Jump to main content
Jump to site search
Access to RSC content Close the message box

Continue to access RSC content when you are not at your institution. Follow our step-by-step guide.


Issue 16, 2020
Previous Article Next Article

Prediction of a novel robust superconducting state in TaS2 under high pressure

Author affiliations

Abstract

In this work, we performed first-principles structure-searching calculations to investigate the behaviors of tantalum disulfide (TaS2) under compression. Beside the well-known 1T and 2H phases at ambient pressure, our results reveal two new phases with the space group of C2/m (in the pressure range of 27–59 GPa) and I4/mmm (stable above 59 GPa). The C2/m and I4/mmm phases adopt three-dimensional covalent framework structures possessing highly eight-fold and ten-fold coordinated Ta, respectively. Strikingly, we observed an unusual superconductor–metal–superconductor transition in TaS2 with the increase of pressure. The predicted C2/m structure exhibits metallic character, while all the other low-pressure (1T and 2H) and high pressure (I4/mmm) phases of TaS2 show superconductivity under pressure. A robust superconductivity of I4/mmm-TaS2 is predicted up to a maximum transition temperature of 7.62 K at 60 GPa and can be stable up to 200 GPa. Our findings, therefore, provide important information to further understand the intrinsic physics of pressure-driven behaviors in transition metal dichalcogenides and related materials.

Graphical abstract: Prediction of a novel robust superconducting state in TaS2 under high pressure

Back to tab navigation

Article information


Submitted
14 Feb 2020
Accepted
02 Apr 2020
First published
02 Apr 2020

Phys. Chem. Chem. Phys., 2020,22, 8827-8833
Article type
Paper

Prediction of a novel robust superconducting state in TaS2 under high pressure

X. Wang, Y. Liu, X. Chen, P. Zhang and X. Liu, Phys. Chem. Chem. Phys., 2020, 22, 8827
DOI: 10.1039/D0CP00838A

Social activity

Search articles by author

Spotlight

Advertisements