Physical Review Materials, volume 6, issue 1, publication number 014801
Missing theoretical evidence for conventional room-temperature superconductivity in low-enthalpy structures of carbonaceous sulfur hydrides
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RIKEN Center for Emergent Matter Science, 2-1 Hirosawa, Wako 351-0198, Japan
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4
CSCS, Swiss National Supercomputing Centre, Via Trevano 131, CH-6900 Lugano, Switzerland
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Publication type: Journal Article
Publication date: 2022-01-06
Journal:
Physical Review Materials
Quartile SCImago
Q1
Quartile WOS
Q3
Impact factor: 3.4
ISSN: 24759953
General Materials Science
Physics and Astronomy (miscellaneous)
Abstract
To elucidate the geometric structure of the putative room-temperature superconductor, carbonaceous sulfur hydride (C-S-H), at high pressure, we present the results of an extensive computational structure search of bulk C-S-H at 250 GPa. Using the minima hopping structure prediction method coupled to the GPU-accelerated sirius library, more than 17 000 local minima with different stoichiometries in large simulation cells were investigated. Only 24 stoichiometries are favorable against elemental decomposition, and all of them are carbon-doped ${\mathrm{H}}_{3}\mathrm{S}$ crystals. The absence of van Hove singularities or similar peaks in the electronic density of states of more than 3000 candidate phases rules out conventional superconductivity in C-S-H at room temperature.
Citations by journals
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Physical Review B
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Physical Review B
3 publications, 15.79%
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Journal of Materials Chemistry C
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Journal of Materials Chemistry C
2 publications, 10.53%
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Physical Review Materials
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Physical Review Materials
2 publications, 10.53%
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Advanced Materials
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Advanced Materials
1 publication, 5.26%
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Journal of Applied Physics
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Journal of Applied Physics
1 publication, 5.26%
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Matter and Radiation at Extremes
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Matter and Radiation at Extremes
1 publication, 5.26%
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Journal of Superconductivity and Novel Magnetism
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Journal of Superconductivity and Novel Magnetism
1 publication, 5.26%
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npj Computational Materials
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npj Computational Materials
1 publication, 5.26%
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Physics
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Physics
1 publication, 5.26%
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ACS Omega
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ACS Omega
1 publication, 5.26%
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Research
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Research
1 publication, 5.26%
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Journal of Computational Physics: X
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Journal of Computational Physics: X
1 publication, 5.26%
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Journal of Chemical Physics
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Journal of Chemical Physics
1 publication, 5.26%
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New Journal of Physics
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New Journal of Physics
1 publication, 5.26%
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Citations by publishers
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American Physical Society (APS)
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American Physical Society (APS)
6 publications, 31.58%
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American Institute of Physics (AIP)
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American Institute of Physics (AIP)
3 publications, 15.79%
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Springer Nature
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Springer Nature
2 publications, 10.53%
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Royal Society of Chemistry (RSC)
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Royal Society of Chemistry (RSC)
2 publications, 10.53%
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Wiley
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Wiley
1 publication, 5.26%
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American Chemical Society (ACS)
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American Chemical Society (ACS)
1 publication, 5.26%
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American Association for the Advancement of Science (AAAS)
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American Association for the Advancement of Science (AAAS)
1 publication, 5.26%
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Elsevier
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Elsevier
1 publication, 5.26%
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IOP Publishing
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IOP Publishing
1 publication, 5.26%
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- We do not take into account publications that without a DOI.
- Statistics recalculated only for publications connected to researchers, organizations and labs registered on the platform.
- Statistics recalculated weekly.
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Gubler M. et al. Missing theoretical evidence for conventional room-temperature superconductivity in low-enthalpy structures of carbonaceous sulfur hydrides // Physical Review Materials. 2022. Vol. 6. No. 1. 014801
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Gubler M., Flores-Livas J. A., Kozhevnikov A., Goedecker S. Missing theoretical evidence for conventional room-temperature superconductivity in low-enthalpy structures of carbonaceous sulfur hydrides // Physical Review Materials. 2022. Vol. 6. No. 1. 014801
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TY - JOUR
DO - 10.1103/PhysRevMaterials.6.014801
UR - https://doi.org/10.1103%2FPhysRevMaterials.6.014801
TI - Missing theoretical evidence for conventional room-temperature superconductivity in low-enthalpy structures of carbonaceous sulfur hydrides
T2 - Physical Review Materials
AU - Gubler, Moritz
AU - Flores-Livas, José A.
AU - Kozhevnikov, Anton
AU - Goedecker, S.
PY - 2022
DA - 2022/01/06 00:00:00
PB - American Physical Society (APS)
IS - 1
VL - 6
SN - 2475-9953
ER -
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@article{2022_Gubler,
author = {Moritz Gubler and José A. Flores-Livas and Anton Kozhevnikov and S. Goedecker},
title = {Missing theoretical evidence for conventional room-temperature superconductivity in low-enthalpy structures of carbonaceous sulfur hydrides},
journal = {Physical Review Materials},
year = {2022},
volume = {6},
publisher = {American Physical Society (APS)},
month = {jan},
url = {https://doi.org/10.1103%2FPhysRevMaterials.6.014801},
number = {1},
doi = {10.1103/PhysRevMaterials.6.014801}
}