Dilute carbon in H3S under pressure

Abstract Recently, room temperature superconductivity was measured in a carbonaceous sulfur hydride material whose identity remains unknown. Herein, first-principles calculations are performed to provide a chemical basis for structural candidates derived by doping H3S with low levels of carbon. Pres...

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Bibliographic Details
Main Authors: Xiaoyu Wang, Tiange Bi, Katerina P. Hilleke, Anmol Lamichhane, Russell J. Hemley, Eva Zurek
Format: Article
Language:English
Published: Nature Portfolio 2022-04-01
Series:npj Computational Materials
Online Access:https://doi.org/10.1038/s41524-022-00769-9
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