Open Access
Open access
Physical Review Letters, volume 114, issue 15, publication number 157004

High-pressure hydrogen sulfide from first principles: a strongly anharmonic phonon-mediated superconductor.

Errea Ion 1, 2
Calandra Matteo 3
PICKARD CHRIS J. 4
Nelson Joseph 5
Needs Richard J. 5
Needs R. J. 5
Li Yinwei 6
Liu Hanyu 7
Zhang Yunwei 8
Ma Yan-Ming 8
Ma Yanming 8
Mauri Francesco 3
Publication typeJournal Article
Publication date2015-04-16
Quartile SCImago
Q1
Quartile WOS
Q1
Impact factor8.6
ISSN00319007, 10797114
General Physics and Astronomy
Abstract
We use first-principles calculations to study structural, vibrational, and superconducting properties of H_{2}S at pressures P≥200  GPa. The inclusion of zero-point energy leads to two different possible dissociations of H2S, namely 3H2S→2H3S+S and 5H2S→3H3S+HS2, where both H3S and HS2 are metallic. For H3S, we perform nonperturbative calculations of anharmonic effects within the self-consistent harmonic approximation and show that the harmonic approximation strongly overestimates the electron-phonon interaction (λ≈2.64 at 200 GPa) and Tc. Anharmonicity hardens H─S bond-stretching modes and softens H─S bond-bending modes. As a result, the electron-phonon coupling is suppressed by 30% (λ≈1.84 at 200 GPa). Moreover, while at the harmonic level Tc decreases with increasing pressure, the inclusion of anharmonicity leads to a Tc that is almost independent of pressure. High-pressure hydrogen sulfide is a strongly anharmonic superconductor.

Citations by journals

10
20
30
40
50
60
70
80
90
100
Physical Review B
Physical Review B, 92, 25.07%
Physical Review B
92 publications, 25.07%
Scientific Reports
Scientific Reports, 15, 4.09%
Scientific Reports
15 publications, 4.09%
Journal of Physics Condensed Matter
Journal of Physics Condensed Matter, 12, 3.27%
Journal of Physics Condensed Matter
12 publications, 3.27%
Superconductor Science and Technology
Superconductor Science and Technology, 10, 2.72%
Superconductor Science and Technology
10 publications, 2.72%
Physical Review Letters
Physical Review Letters, 9, 2.45%
Physical Review Letters
9 publications, 2.45%
Physical Review Materials
Physical Review Materials, 9, 2.45%
Physical Review Materials
9 publications, 2.45%
Physical Chemistry Chemical Physics
Physical Chemistry Chemical Physics, 9, 2.45%
Physical Chemistry Chemical Physics
9 publications, 2.45%
Journal of Physical Chemistry C
Journal of Physical Chemistry C, 7, 1.91%
Journal of Physical Chemistry C
7 publications, 1.91%
Journal of Applied Physics
Journal of Applied Physics, 7, 1.91%
Journal of Applied Physics
7 publications, 1.91%
Journal of Superconductivity and Novel Magnetism
Journal of Superconductivity and Novel Magnetism, 7, 1.91%
Journal of Superconductivity and Novel Magnetism
7 publications, 1.91%
Journal of Chemical Physics
Journal of Chemical Physics, 6, 1.63%
Journal of Chemical Physics
6 publications, 1.63%
Journal of the Physical Society of Japan
Journal of the Physical Society of Japan, 6, 1.63%
Journal of the Physical Society of Japan
6 publications, 1.63%
New Journal of Physics
New Journal of Physics, 6, 1.63%
New Journal of Physics
6 publications, 1.63%
Nature
Nature, 5, 1.36%
Nature
5 publications, 1.36%
Nature Communications
Nature Communications, 5, 1.36%
Nature Communications
5 publications, 1.36%
Inorganic Chemistry
Inorganic Chemistry, 5, 1.36%
Inorganic Chemistry
5 publications, 1.36%
European Physical Journal B
European Physical Journal B, 5, 1.36%
European Physical Journal B
5 publications, 1.36%
RSC Advances
RSC Advances, 5, 1.36%
RSC Advances
5 publications, 1.36%
Journal of Physics and Chemistry of Solids
Journal of Physics and Chemistry of Solids, 4, 1.09%
Journal of Physics and Chemistry of Solids
4 publications, 1.09%
Physica C: Superconductivity and its Applications
Physica C: Superconductivity and its Applications, 4, 1.09%
Physica C: Superconductivity and its Applications
4 publications, 1.09%
Proceedings of the National Academy of Sciences of the United States of America
Proceedings of the National Academy of Sciences of the United States of America, 4, 1.09%
Proceedings of the National Academy of Sciences of the United States of America
4 publications, 1.09%
Nature Physics
Nature Physics, 3, 0.82%
Nature Physics
3 publications, 0.82%
Reviews of Modern Physics
Reviews of Modern Physics, 3, 0.82%
Reviews of Modern Physics
3 publications, 0.82%
Physical Review Research
Physical Review Research, 3, 0.82%
Physical Review Research
3 publications, 0.82%
Quantum Studies Mathematics and Foundations
Quantum Studies Mathematics and Foundations, 3, 0.82%
Quantum Studies Mathematics and Foundations
3 publications, 0.82%
Materials Today Physics
Materials Today Physics, 3, 0.82%
Materials Today Physics
3 publications, 0.82%
Physics Letters, Section A: General, Atomic and Solid State Physics
Physics Letters, Section A: General, Atomic and Solid State Physics, 3, 0.82%
Physics Letters, Section A: General, Atomic and Solid State Physics
3 publications, 0.82%
Journal of Alloys and Compounds
Journal of Alloys and Compounds, 3, 0.82%
Journal of Alloys and Compounds
3 publications, 0.82%
Chinese Physics B
Chinese Physics B, 3, 0.82%
Chinese Physics B
3 publications, 0.82%
10
20
30
40
50
60
70
80
90
100

Citations by publishers

20
40
60
80
100
120
American Physical Society (APS)
American Physical Society (APS), 116, 31.61%
American Physical Society (APS)
116 publications, 31.61%
Springer Nature
Springer Nature, 56, 15.26%
Springer Nature
56 publications, 15.26%
IOP Publishing
IOP Publishing, 37, 10.08%
IOP Publishing
37 publications, 10.08%
Elsevier
Elsevier, 33, 8.99%
Elsevier
33 publications, 8.99%
American Chemical Society (ACS)
American Chemical Society (ACS), 22, 5.99%
American Chemical Society (ACS)
22 publications, 5.99%
Royal Society of Chemistry (RSC)
Royal Society of Chemistry (RSC), 21, 5.72%
Royal Society of Chemistry (RSC)
21 publications, 5.72%
American Institute of Physics (AIP)
American Institute of Physics (AIP), 17, 4.63%
American Institute of Physics (AIP)
17 publications, 4.63%
Wiley
Wiley, 17, 4.63%
Wiley
17 publications, 4.63%
Physical Society of Japan
Physical Society of Japan, 6, 1.63%
Physical Society of Japan
6 publications, 1.63%
Pleiades Publishing
Pleiades Publishing, 4, 1.09%
Pleiades Publishing
4 publications, 1.09%
Proceedings of the National Academy of Sciences (PNAS)
Proceedings of the National Academy of Sciences (PNAS), 4, 1.09%
Proceedings of the National Academy of Sciences (PNAS)
4 publications, 1.09%
World Scientific
World Scientific, 3, 0.82%
World Scientific
3 publications, 0.82%
Multidisciplinary Digital Publishing Institute (MDPI)
Multidisciplinary Digital Publishing Institute (MDPI), 3, 0.82%
Multidisciplinary Digital Publishing Institute (MDPI)
3 publications, 0.82%
Portico, 3, 0.82%
Portico
3 publications, 0.82%
Uspekhi Fizicheskikh Nauk Journal
Uspekhi Fizicheskikh Nauk Journal, 2, 0.54%
Uspekhi Fizicheskikh Nauk Journal
2 publications, 0.54%
Japan Society of Applied Physics
Japan Society of Applied Physics, 2, 0.54%
Japan Society of Applied Physics
2 publications, 0.54%
Taylor & Francis
Taylor & Francis, 2, 0.54%
Taylor & Francis
2 publications, 0.54%
Hindawi Limited
Hindawi Limited, 2, 0.54%
Hindawi Limited
2 publications, 0.54%
Canadian Science Publishing
Canadian Science Publishing, 1, 0.27%
Canadian Science Publishing
1 publication, 0.27%
Japan Institute of Metals and Materials
Japan Institute of Metals and Materials, 1, 0.27%
Japan Institute of Metals and Materials
1 publication, 0.27%
Public Library of Science (PLoS)
Public Library of Science (PLoS), 1, 0.27%
Public Library of Science (PLoS)
1 publication, 0.27%
Oxford University Press
Oxford University Press, 1, 0.27%
Oxford University Press
1 publication, 0.27%
American Association for the Advancement of Science (AAAS)
American Association for the Advancement of Science (AAAS), 1, 0.27%
American Association for the Advancement of Science (AAAS)
1 publication, 0.27%
Annual Reviews
Annual Reviews, 1, 0.27%
Annual Reviews
1 publication, 0.27%
Science in China Press, 1, 0.27%
Science in China Press
1 publication, 0.27%
20
40
60
80
100
120
  • 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.
Metrics
Share
Cite this
GOST |
Cite this
GOST Copy
Errea I. et al. High-pressure hydrogen sulfide from first principles: a strongly anharmonic phonon-mediated superconductor. // Physical Review Letters. 2015. Vol. 114. No. 15. 157004
GOST all authors (up to 50) Copy
Errea I., Calandra M., PICKARD C. J., Pickard C. J., Nelson J., Needs R. J., Needs R. J., Li Y., Liu H., Zhang Y., Ma Y., Ma Y., Mauri F. High-pressure hydrogen sulfide from first principles: a strongly anharmonic phonon-mediated superconductor. // Physical Review Letters. 2015. Vol. 114. No. 15. 157004
RIS |
Cite this
RIS Copy
TY - JOUR
DO - 10.1103/PhysRevLett.114.157004
UR - https://doi.org/10.1103%2FPhysRevLett.114.157004
TI - High-pressure hydrogen sulfide from first principles: a strongly anharmonic phonon-mediated superconductor.
T2 - Physical Review Letters
AU - Errea, Ion
AU - Calandra, Matteo
AU - PICKARD, CHRIS J.
AU - Nelson, Joseph
AU - Needs, Richard J.
AU - Li, Yinwei
AU - Liu, Hanyu
AU - Zhang, Yunwei
AU - Ma, Yanming
AU - Mauri, Francesco
AU - Pickard, C. J.
AU - Needs, R. J.
AU - Ma, Yan-Ming
PY - 2015
DA - 2015/04/16 00:00:00
PB - American Physical Society (APS)
IS - 15
VL - 114
SN - 0031-9007
SN - 1079-7114
ER -
BibTex
Cite this
BibTex Copy
@article{2015_Errea
author = {Ion Errea and Matteo Calandra and CHRIS J. PICKARD and Joseph Nelson and Richard J. Needs and Yinwei Li and Hanyu Liu and Yunwei Zhang and Yanming Ma and Francesco Mauri and C. J. Pickard and R. J. Needs and Yan-Ming Ma},
title = {High-pressure hydrogen sulfide from first principles: a strongly anharmonic phonon-mediated superconductor.},
journal = {Physical Review Letters},
year = {2015},
volume = {114},
publisher = {American Physical Society (APS)},
month = {apr},
url = {https://doi.org/10.1103%2FPhysRevLett.114.157004},
number = {15},
doi = {10.1103/PhysRevLett.114.157004}
}
Found error?