Physical Review B, volume 93, issue 9, publication number 094525

Effect of Van Hove singularities on high- T c superconductivity in H 3 S

Sano Wataru ^{1, 2}

Koretsune Takashi ^{2, 3}

Tadano Terumasa ¹

Akashi Ryosuke ⁴

ARITA RYOTARO ^{2, 5}

Hide authors affiliations Show authors affiliations: 5 affiliations

Department of Applied Physics, University of Tokyo, 7-3-1 Hongo, Bunkyo-Ku, Tokyo 113-8656, Japan |

Riken Center for Emergent Matter Science, 2-1 Hirosawa, Wako, Saitama 351-0198, Japan |

JST, PRESTO, 4-1-8 HonCho, Kawaguchi, Saitama 332-0012, Japan |

⁴

Department of Physics, University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-0033, Japan |

⁵

ERATO Isobe Degenerate -Integration Project, Tohoku University, Aoba-ku, Sendai 980-8578, Japan |

Publication type: Journal Article

Publication date: 2016-03-31

American Physical Society (APS)

Journal: Physical Review B

Quartile SCImago

Quartile WOS

Impact factor: 3.7

ISSN: 24699950, 24699969, 10980121, 1550235X

DOI: 10.1103/PhysRevB.93.094525

Copy DOI

Abstract

One of interesting open questions for the high transition temperature (Tc) superconductivity in sulfur hydrides is why high pressure phases of H3S have extremely high Tc's. Recently, it has been pointed out that the presence of the van Hove singularities (vHs) around the Fermi level is crucial. However, while there have been quantitative estimates of Tc based on the Migdal-Eliashberg theory, the energy dependence of the density of states (DOS) has been neglected to simplify the Eliashberg equation. In this study, we go beyond the constant DOS approximation and explicitly consider the electronic structure over 40eV around the Fermi level. In contrast with the previous conventional calculations, this approach with a sufficiently large number of Matsubara frequencies enables us to calculate Tc without introducing the empirical pseudo Coulomb potential. We show that while H3S has much higher Tc than H2S for which the vHs is absent, the constant DOS approximation employed so far seriously overestimates (underestimates) Tc by ~ 60K (~ 10K) for H3S (H2S). We then discuss the impact of the strong electron-phonon coupling on the electronic structure with and without the vHs and how it affects the superconductivity. Especially, we focus on (1) the feedback effect in the self-consistent calculation of the self-energy, (2) the effect of the energy shift due to the zero-point motion, and (3) the effect of the changes in the phonon frequencies due to strong anharmonicity. We show that the effect of (1)-(3) on Tc is about 10-30K for both H3S and H2S. Eventually, Tc is estimated to be 181K for H3S at 250GPa and 34K for H2S at 140GPa, which explains the pressure dependence of Tc observed in the experiment. In addition, we evaluate the lowest order vertex correction beyond the Migdal-Eliashberg theory and discuss the validity of the Migdal approximation for sulfur hydrides.

By date By citations

Citations by journals

	5 10 15 20 25 30
Physical Review B	Physical Review B, 26, 24.3% Physical Review B 26 publications, 24.3%
Scientific Reports	Scientific Reports, 7, 6.54% Scientific Reports 7 publications, 6.54%
Journal of Chemical Physics	Journal of Chemical Physics, 3, 2.8% Journal of Chemical Physics 3 publications, 2.8%
Physical Review Letters	Physical Review Letters, 3, 2.8% Physical Review Letters 3 publications, 2.8%
Journal of the Physical Society of Japan	Journal of the Physical Society of Japan, 3, 2.8% Journal of the Physical Society of Japan 3 publications, 2.8%
Journal of Superconductivity and Novel Magnetism	Journal of Superconductivity and Novel Magnetism, 3, 2.8% Journal of Superconductivity and Novel Magnetism 3 publications, 2.8%
npj Computational Materials	npj Computational Materials, 3, 2.8% npj Computational Materials 3 publications, 2.8%
Journal of Physics Condensed Matter	Journal of Physics Condensed Matter, 3, 2.8% Journal of Physics Condensed Matter 3 publications, 2.8%
Novel Superconducting Materials	Novel Superconducting Materials, 3, 2.8% Novel Superconducting Materials 3 publications, 2.8%
Advanced Materials	Advanced Materials, 2, 1.87% Advanced Materials 2 publications, 1.87%
Reviews of Modern Physics	Reviews of Modern Physics, 2, 1.87% Reviews of Modern Physics 2 publications, 1.87%
Physical Review Research	Physical Review Research, 2, 1.87% Physical Review Research 2 publications, 1.87%
Journal of Physical Chemistry C	Journal of Physical Chemistry C, 2, 1.87% Journal of Physical Chemistry C 2 publications, 1.87%
Journal of Physics and Chemistry of Solids	Journal of Physics and Chemistry of Solids, 2, 1.87% Journal of Physics and Chemistry of Solids 2 publications, 1.87%
Applied Physics Express	Applied Physics Express, 2, 1.87% Applied Physics Express 2 publications, 1.87%
Chinese Physics B	Chinese Physics B, 2, 1.87% Chinese Physics B 2 publications, 1.87%
Physica C: Superconductivity and its Applications	Physica C: Superconductivity and its Applications, 2, 1.87% Physica C: Superconductivity and its Applications 2 publications, 1.87%
Annalen der Physik	Annalen der Physik, 2, 1.87% Annalen der Physik 2 publications, 1.87%
Journal of the American Chemical Society	Journal of the American Chemical Society, 1, 0.93% Journal of the American Chemical Society 1 publication, 0.93%
Science advances	Science advances, 1, 0.93% Science advances 1 publication, 0.93%
Inorganic Chemistry	Inorganic Chemistry, 1, 0.93% Inorganic Chemistry 1 publication, 0.93%
Physics Today	Physics Today, 1, 0.93% Physics Today 1 publication, 0.93%
Uspekhi Fizicheskih Nauk	Uspekhi Fizicheskih Nauk, 1, 0.93% Uspekhi Fizicheskih Nauk 1 publication, 0.93%
International Journal of Modern Physics B	International Journal of Modern Physics B, 1, 0.93% International Journal of Modern Physics B 1 publication, 0.93%
Materials	Materials, 1, 0.93% Materials 1 publication, 0.93%
Applied Physics A: Materials Science and Processing	Applied Physics A: Materials Science and Processing, 1, 0.93% Applied Physics A: Materials Science and Processing 1 publication, 0.93%
Nature	Nature, 1, 0.93% Nature 1 publication, 0.93%
Japanese Journal of Applied Physics, Part 1: Regular Papers & Short Notes	Japanese Journal of Applied Physics, Part 1: Regular Papers & Short Notes, 1, 0.93% Japanese Journal of Applied Physics, Part 1: Regular Papers & Short Notes 1 publication, 0.93%
Journal of Physics Materials	Journal of Physics Materials, 1, 0.93% Journal of Physics Materials 1 publication, 0.93%
	5 10 15 20 25 30

Citations by publishers

	5 10 15 20 25 30 35
American Physical Society (APS)	American Physical Society (APS), 34, 31.78% American Physical Society (APS) 34 publications, 31.78%
Springer Nature	Springer Nature, 18, 16.82% Springer Nature 18 publications, 16.82%
Elsevier	Elsevier, 10, 9.35% Elsevier 10 publications, 9.35%
American Chemical Society (ACS)	American Chemical Society (ACS), 6, 5.61% American Chemical Society (ACS) 6 publications, 5.61%
IOP Publishing	IOP Publishing, 6, 5.61% IOP Publishing 6 publications, 5.61%
Wiley	Wiley, 5, 4.67% Wiley 5 publications, 4.67%
American Institute of Physics (AIP)	American Institute of Physics (AIP), 4, 3.74% American Institute of Physics (AIP) 4 publications, 3.74%
Physical Society of Japan	Physical Society of Japan, 3, 2.8% Physical Society of Japan 3 publications, 2.8%
Japan Society of Applied Physics	Japan Society of Applied Physics, 3, 2.8% Japan Society of Applied Physics 3 publications, 2.8%
Portico	Portico, 3, 2.8% Portico 3 publications, 2.8%
Taylor & Francis	Taylor & Francis, 2, 1.87% Taylor & Francis 2 publications, 1.87%
American Association for the Advancement of Science (AAAS)	American Association for the Advancement of Science (AAAS), 1, 0.93% American Association for the Advancement of Science (AAAS) 1 publication, 0.93%
Uspekhi Fizicheskikh Nauk Journal	Uspekhi Fizicheskikh Nauk Journal, 1, 0.93% Uspekhi Fizicheskikh Nauk Journal 1 publication, 0.93%
World Scientific	World Scientific, 1, 0.93% World Scientific 1 publication, 0.93%
Multidisciplinary Digital Publishing Institute (MDPI)	Multidisciplinary Digital Publishing Institute (MDPI), 1, 0.93% Multidisciplinary Digital Publishing Institute (MDPI) 1 publication, 0.93%
Royal Society of Chemistry (RSC)	Royal Society of Chemistry (RSC), 1, 0.93% Royal Society of Chemistry (RSC) 1 publication, 0.93%
Pleiades Publishing	Pleiades Publishing, 1, 0.93% Pleiades Publishing 1 publication, 0.93%
Hindawi Limited	Hindawi Limited, 1, 0.93% Hindawi Limited 1 publication, 0.93%
Annual Reviews	Annual Reviews, 1, 0.93% Annual Reviews 1 publication, 0.93%
	5 10 15 20 25 30 35

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.

{"yearsCitations":{"type":"bar","data":{"show":true,"labels":[2016,2017,2018,2019,2020,2021,2022,2023,2024],"ids":[0,0,0,0,0,0,0,0,0],"codes":[0,0,0,0,0,0,0,0,0],"imageUrls":["","","","","","","","",""],"datasets":[{"label":"Citations number","data":[8,14,18,11,20,10,9,14,3],"backgroundColor":["#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6"],"percentage":["7.48","13.08","16.82","10.28","18.69","9.35","8.41","13.08","2.8"],"barThickness":null}]},"options":{"indexAxis":"x","maintainAspectRatio":true,"scales":{"y":{"ticks":{"precision":0,"autoSkip":false,"font":{"family":"Montserrat"},"color":"#000000"}},"x":{"ticks":{"stepSize":1,"precision":0,"font":{"family":"Montserrat"},"color":"#000000"}}},"plugins":{"legend":{"position":"top","labels":{"font":{"family":"Montserrat"},"color":"#000000"}},"title":{"display":true,"text":"Citations per year","font":{"size":24,"family":"Montserrat","weight":600},"color":"#000000"}}}},"journals":{"type":"bar","data":{"show":true,"labels":["Physical Review B","Scientific Reports","Journal of Chemical Physics","Physical Review Letters","Journal of the Physical Society of Japan","Journal of Superconductivity and Novel Magnetism","npj Computational Materials","Journal of Physics Condensed Matter","Novel Superconducting Materials","Advanced Materials","Reviews of Modern Physics","Physical Review Research","Journal of Physical Chemistry C","Journal of Physics and Chemistry of Solids","Applied Physics Express","Chinese Physics B","Physica C: Superconductivity and its Applications","Annalen der Physik","Journal of the American Chemical Society","Science advances","Inorganic Chemistry","Physics Today","Uspekhi Fizicheskih Nauk","International Journal of Modern Physics B","Materials","Applied Physics A: Materials Science and Processing","Nature","Japanese Journal of Applied Physics, Part 1: Regular Papers & Short Notes","Journal of Physics Materials"],"ids":[25280,13767,544,4343,22293,23841,19672,4579,26838,25159,7721,26813,8859,19478,24517,6895,9363,24203,4813,23003,24714,18300,25355,18168,25198,14766,14611,2035,26747],"codes":[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0],"imageUrls":["\/storage\/images\/resized\/nrK64iXHTzj43wMrfN1ZoUQ0vanswGzWPN45K3jA_medium.webp","\/storage\/images\/resized\/voXLqlsvTwv5p3iMQ8Dhs95nqB4AXOG7Taj7G4ra_medium.webp","\/storage\/images\/resized\/ARM4e6URKRsbRZvIF0vFis9DjxGloBjnBYJXbHmZ_medium.webp","\/storage\/images\/resized\/nrK64iXHTzj43wMrfN1ZoUQ0vanswGzWPN45K3jA_medium.webp","\/storage\/images\/resized\/7MOa0u0KYFOi3YGCBSKK6LlpUlTzW66O9Mu1nbvH_medium.webp","\/storage\/images\/resized\/voXLqlsvTwv5p3iMQ8Dhs95nqB4AXOG7Taj7G4ra_medium.webp","\/storage\/images\/resized\/voXLqlsvTwv5p3iMQ8Dhs95nqB4AXOG7Taj7G4ra_medium.webp","\/storage\/images\/resized\/LsKy6OnmmmRGcAU6CZgWQvNiP1polbaSLNrN7zqj_medium.webp","","\/storage\/images\/resized\/bRyGpdm98BkAUYiK1YFNpl5Z7hPu6Gd87gbIeuG3_medium.webp","\/storage\/images\/resized\/nrK64iXHTzj43wMrfN1ZoUQ0vanswGzWPN45K3jA_medium.webp","\/storage\/images\/resized\/nrK64iXHTzj43wMrfN1ZoUQ0vanswGzWPN45K3jA_medium.webp","\/storage\/images\/resized\/iLiQsFqFaSEx6chlGQ5fbAwF6VYU3WWa08hkss0g_medium.webp","\/storage\/images\/resized\/GDnYOu1UpMMfMMRV6Aqle4H0YLLsraeD9IP9qScG_medium.webp","\/storage\/images\/resized\/wFULTOy1QTD7DkRFxasdNYr8tnVZXl2nkWAWWTzz_medium.webp","\/storage\/images\/resized\/LsKy6OnmmmRGcAU6CZgWQvNiP1polbaSLNrN7zqj_medium.webp","\/storage\/images\/resized\/GDnYOu1UpMMfMMRV6Aqle4H0YLLsraeD9IP9qScG_medium.webp","\/storage\/images\/resized\/bRyGpdm98BkAUYiK1YFNpl5Z7hPu6Gd87gbIeuG3_medium.webp","\/storage\/images\/resized\/iLiQsFqFaSEx6chlGQ5fbAwF6VYU3WWa08hkss0g_medium.webp","\/storage\/images\/resized\/s10mcsCV4OAUg9O2KrqOquQC0PhyLMI8hUUkuflM_medium.webp","\/storage\/images\/resized\/iLiQsFqFaSEx6chlGQ5fbAwF6VYU3WWa08hkss0g_medium.webp","\/storage\/images\/resized\/ARM4e6URKRsbRZvIF0vFis9DjxGloBjnBYJXbHmZ_medium.webp","\/storage\/images\/resized\/FwiqB0ziXtO1uDSVpBYJ2sLrjRF4fgUy0rywXJa7_medium.webp","\/storage\/images\/resized\/jZQkhOOcY9wrGwZm7XGRwMe8H7fThQu3KamISuun_medium.webp","\/storage\/images\/resized\/MjH1ITP7lMYGxeqUZfkt2BnVLgjkk413jwBV97XX_medium.webp","\/storage\/images\/resized\/voXLqlsvTwv5p3iMQ8Dhs95nqB4AXOG7Taj7G4ra_medium.webp","\/storage\/images\/resized\/voXLqlsvTwv5p3iMQ8Dhs95nqB4AXOG7Taj7G4ra_medium.webp","\/storage\/images\/resized\/wFULTOy1QTD7DkRFxasdNYr8tnVZXl2nkWAWWTzz_medium.webp","\/storage\/images\/resized\/LsKy6OnmmmRGcAU6CZgWQvNiP1polbaSLNrN7zqj_medium.webp"],"datasets":[{"label":"","data":[26,7,3,3,3,3,3,3,3,2,2,2,2,2,2,2,2,2,1,1,1,1,1,1,1,1,1,1,1],"backgroundColor":["#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6"],"percentage":[24.3,6.54,2.8,2.8,2.8,2.8,2.8,2.8,2.8,1.87,1.87,1.87,1.87,1.87,1.87,1.87,1.87,1.87,0.93,0.93,0.93,0.93,0.93,0.93,0.93,0.93,0.93,0.93,0.93],"barThickness":13}]},"options":{"indexAxis":"y","maintainAspectRatio":false,"scales":{"y":{"ticks":{"precision":0,"autoSkip":false,"font":{"family":"Montserrat"},"color":"#000000"}},"x":{"ticks":{"stepSize":null,"precision":0,"font":{"family":"Montserrat"},"color":"#000000"}}},"plugins":{"legend":{"position":"top","labels":{"font":{"family":"Montserrat"},"color":"#000000"}},"title":{"display":true,"text":"Journals","font":{"size":24,"family":"Montserrat","weight":600},"color":"#000000"}}}},"publishers":{"type":"bar","data":{"show":true,"labels":["American Physical Society (APS)","Springer Nature","Elsevier","American Chemical Society (ACS)","IOP Publishing","Wiley","American Institute of Physics (AIP)","Physical Society of Japan","Japan Society of Applied Physics","Portico","Taylor & Francis","American Association for the Advancement of Science (AAAS)","Uspekhi Fizicheskikh Nauk Journal","World Scientific","Multidisciplinary Digital Publishing Institute (MDPI)","Royal Society of Chemistry (RSC)","Pleiades Publishing","Hindawi Limited","Annual Reviews"],"ids":[1539,8,17,40,2075,11,250,7495,804,7078,18,189,6903,23,202,123,101,6921,6941],"codes":[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0],"imageUrls":["\/storage\/images\/resized\/nrK64iXHTzj43wMrfN1ZoUQ0vanswGzWPN45K3jA_medium.webp","\/storage\/images\/resized\/voXLqlsvTwv5p3iMQ8Dhs95nqB4AXOG7Taj7G4ra_medium.webp","\/storage\/images\/resized\/GDnYOu1UpMMfMMRV6Aqle4H0YLLsraeD9IP9qScG_medium.webp","\/storage\/images\/resized\/iLiQsFqFaSEx6chlGQ5fbAwF6VYU3WWa08hkss0g_medium.webp","\/storage\/images\/resized\/LsKy6OnmmmRGcAU6CZgWQvNiP1polbaSLNrN7zqj_medium.webp","\/storage\/images\/resized\/bRyGpdm98BkAUYiK1YFNpl5Z7hPu6Gd87gbIeuG3_medium.webp","\/storage\/images\/resized\/ARM4e6URKRsbRZvIF0vFis9DjxGloBjnBYJXbHmZ_medium.webp","\/storage\/images\/resized\/7MOa0u0KYFOi3YGCBSKK6LlpUlTzW66O9Mu1nbvH_medium.webp","\/storage\/images\/resized\/wFULTOy1QTD7DkRFxasdNYr8tnVZXl2nkWAWWTzz_medium.webp","","\/storage\/images\/resized\/5YZtvLvkPZuc2JHOaZsjCvGSHFCuC3drUwN3YAc5_medium.webp","\/storage\/images\/resized\/s10mcsCV4OAUg9O2KrqOquQC0PhyLMI8hUUkuflM_medium.webp","\/storage\/images\/resized\/FwiqB0ziXtO1uDSVpBYJ2sLrjRF4fgUy0rywXJa7_medium.webp","\/storage\/images\/resized\/jZQkhOOcY9wrGwZm7XGRwMe8H7fThQu3KamISuun_medium.webp","\/storage\/images\/resized\/MjH1ITP7lMYGxeqUZfkt2BnVLgjkk413jwBV97XX_medium.webp","\/storage\/images\/resized\/leiAYcRDGTSl5B1eCnwpSGqmDEUEfDPPoYisFGhT_medium.webp","\/storage\/images\/resized\/oZgeErrVFhuDksyqFURLvYS1wtVSBWczh001igGo_medium.webp","\/storage\/images\/resized\/hqfzhQAjTGlNSRs6yzFNITgjSMm9Jr2QuotJHIvE_medium.webp","\/storage\/images\/resized\/A7oGMwx1m3fFJlKJvQUVra8h0itmEa7JZW0q3Q0b_medium.webp"],"datasets":[{"label":"","data":[34,18,10,6,6,5,4,3,3,3,2,1,1,1,1,1,1,1,1],"backgroundColor":["#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6"],"percentage":[31.78,16.82,9.35,5.61,5.61,4.67,3.74,2.8,2.8,2.8,1.87,0.93,0.93,0.93,0.93,0.93,0.93,0.93,0.93],"barThickness":13}]},"options":{"indexAxis":"y","maintainAspectRatio":false,"scales":{"y":{"ticks":{"precision":0,"autoSkip":false,"font":{"family":"Montserrat"},"color":"#000000"}},"x":{"ticks":{"stepSize":null,"precision":0,"font":{"family":"Montserrat"},"color":"#000000"}}},"plugins":{"legend":{"position":"top","labels":{"font":{"family":"Montserrat"},"color":"#000000"}},"title":{"display":true,"text":"Publishers","font":{"size":24,"family":"Montserrat","weight":600},"color":"#000000"}}}}}

Metrics

Cite this

GOST |

Cite this

GOST Copy

Sano W. et al. Effect of Van Hove singularities on high- T c superconductivity in H 3 S // Physical Review B. 2016. Vol. 93. No. 9. 094525

GOST all authors (up to 50) Copy

Sano W., Koretsune T., Tadano T., Akashi R., ARITA R. Effect of Van Hove singularities on high- T c superconductivity in H 3 S // Physical Review B. 2016. Vol. 93. No. 9. 094525

RIS |

Cite this

RIS Copy

TY - JOUR

DO - 10.1103/PhysRevB.93.094525

UR - https://doi.org/10.1103%2FPhysRevB.93.094525

TI - Effect of Van Hove singularities on high- T c superconductivity in H 3 S

T2 - Physical Review B

AU - Sano, Wataru

AU - Koretsune, Takashi

AU - Tadano, Terumasa

AU - Akashi, Ryosuke

AU - ARITA, RYOTARO

PY - 2016

DA - 2016/03/31 00:00:00

PB - American Physical Society (APS)

IS - 9

VL - 93

SN - 2469-9950

SN - 2469-9969

SN - 1098-0121

SN - 1550-235X

ER -

BibTex

Cite this

BibTex Copy

@article{2016_Sano,

author = {Wataru Sano and Takashi Koretsune and Terumasa Tadano and Ryosuke Akashi and RYOTARO ARITA},

title = {Effect of Van Hove singularities on high- T c superconductivity in H 3 S},

journal = {Physical Review B},

year = {2016},

volume = {93},

publisher = {American Physical Society (APS)},

month = {mar},

url = {https://doi.org/10.1103%2FPhysRevB.93.094525},

number = {9},

doi = {10.1103/PhysRevB.93.094525}

}

Found error?

Publisher

American Physical Society (APS)

Journal

Physical Review B

Quartile SCImago

Quartile WOS

Impact factor

3.7

ISSN

24699950 (Print)
24699969 (Electronic)
10980121 (Print)
1550235X (Electronic)

Profiles

Arita, Ryotaro