Bulletin of the American Physical Society
APS March Meeting 2022
Volume 67, Number 3
Monday–Friday, March 14–18, 2022; Chicago
Session Q57: Superconductivity: Hydrides & Other SC Materials -III
3:00 PM–5:48 PM,
Wednesday, March 16, 2022
Room: Hyatt Regency Hotel -Clark
Sponsoring
Unit:
DCMP
Chair: Peyman Azodi, Princeton University
Abstract: Q57.00010 : Superconductivity in hydrogen sulfide in the presence of carbon*
4:48 PM–5:00 PM
Presenter:
Yuki Sakai
(University of Texas at Austin)
Authors:
Yuki Sakai
(University of Texas at Austin)
James R Chelikowsky
(University of Texas at Austin)
Marvin L Cohen
(University of California, Berkeley)
We examine the role of carbon in superconducting hydrogen sulfide. We obtained a number of unique structures from a simulation cell containing carbon, hydrogen. and sulfur atoms with randomized atomic coordinates. We also reproduced some structures reported in the literature. In general, the presence of carbon atoms does not raise the superconducting transition temperature of hydrogen sulfide compounds. We discuss the origin of this trend by a detailed examination of structural and electronic properties in these systems.
*YS and JRC acknowledge DOE Grant No. DE-FG02- 06ER46286. Computational resources are provided in part by NERSC and TACC. MLC acknowledges NSF Grant No. DMR-1926004 and Theory of Mateials, LBNL, DOE Contract number DE-AC02-05CH11231.
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