Document Type

Article

Publication Date

6-10-2019

Publication Title

Physical Review B

Publisher

American Physical Society

Volume

99

First page number:

1

Last page number:

6

Abstract

van der Waals (vdW) layered compounds provided a fruitful research platform for the realization of superconductivity. However, a vdW layered superconductor with a high transition temperature (Tc) at ambient conditions is still rare. Here, using variable-composition evolutionary structure predictions, we systematically explored the stable compounds in the P-S system up to 20 GPa. Opposed to the complex stoichiometries at ambient conditions, only one compound, PS2, is predicted to be thermodynamically stable above 8 GPa. Strikingly, PS2 is a vdW layered material isostructural to 3R−MoS2 exhibiting a predicted Tc of around 11 K at ambient pressure, both in the bulk and the monolayer form. PS2 has been successfully synthesized via high-pressure experiments following the theoretical predictions. This enables replacing transition metals with group V elements in transition-metal dichalcogenides and paves the way in the search for vdW layered materials with superior properties.

Disciplines

Chemistry | Physics

File Format

pdf

File Size

734 KB

Language

English

Creative Commons License

Creative Commons Attribution 4.0 License
This work is licensed under a Creative Commons Attribution 4.0 License.

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