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Proceedings of the National Academy of Sciences of the United States of America, volume 114, issue 27, pages 6990-6995

Potential high-Tc superconducting lanthanum and yttrium hydrides at high pressure

Liu Hanyu ¹

Naumov Ivan I. ¹

HOFFMANN ROALD ²

ASHCROFT N. W. ³

Hemley Russell J. ^{4, 5}

Hide authors affiliations Show authors affiliations: 5 affiliations

Geophysical Laboratory, Carnegie Institution of Washington, Washington, DC 20015; |

Department of Chemistry and Chemical Biology, Cornell University, Ithaca, NY 14853; |

Laboratory of Atomic and Solid State Physics, Cornell University, Ithaca, NY 14853; |

⁴

Department of Civil and Environmental Engineering, The George Washington University, Washington, DC 20052; |

⁵

School of Applied and Engineering Physics, Cornell University, Ithaca, NY 14853 |

Publication type: Journal Article

Publication date: 2017-06-19

Proceedings of the National Academy of Sciences (PNAS)

Journal: Proceedings of the National Academy of Sciences of the United States of America

Quartile SCImago

Quartile WOS

Impact factor: 11.1

ISSN: 00278424, 10916490

DOI: 10.1073/pnas.1704505114

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PubMed ID: 28630301

Multidisciplinary

Abstract

Significance Theoretical predictions and subsequent experimental observations of high-temperature superconductivity in dense hydrogen-rich compounds have reinvigorated the field of superconductivity. A systematic computational study of the hydrides of lanthanum and yttrium over a wide composition range reveals hydrogen-rich structures with intriguing electronic properties under pressure. Electron–phonon coupling calculations predict the existence of new superconducting phases, some exhibiting superconductivity in the range of room temperature. Moreover, the calculated stabilities indicate the materials could be synthesized at pressures that are currently accessible in the laboratory. The results open the prospect for the design, synthesis, and recovery of new high-temperature superconductors with potential practical applications. A systematic structure search in the La–H and Y–H systems under pressure reveals some hydrogen-rich structures with intriguing electronic properties. For example, LaH10 is found to adopt a sodalite-like face-centered cubic (fcc) structure, stable above 200 GPa, and LaH8 a C2/m space group structure. Phonon calculations indicate both are dynamically stable; electron phonon calculations coupled to Bardeen–Cooper–Schrieffer (BCS) arguments indicate they might be high-Tc superconductors. In particular, the superconducting transition temperature Tc calculated for LaH10 is 274–286 K at 210 GPa. Similar calculations for the Y–H system predict stability of the sodalite-like fcc YH10 and a Tc above room temperature, reaching 305–326 K at 250 GPa. The study suggests that dense hydrides consisting of these and related hydrogen polyhedral networks may represent new classes of potential very high-temperature superconductors.

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Citations by journals

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Physical Review B	Physical Review B, 115, 19.86% Physical Review B 115 publications, 19.86%
Physical Chemistry Chemical Physics	Physical Chemistry Chemical Physics, 28, 4.84% Physical Chemistry Chemical Physics 28 publications, 4.84%
Journal of Physics Condensed Matter	Journal of Physics Condensed Matter, 17, 2.94% Journal of Physics Condensed Matter 17 publications, 2.94%
Journal of Physical Chemistry C	Journal of Physical Chemistry C, 17, 2.94% Journal of Physical Chemistry C 17 publications, 2.94%
Journal of Physical Chemistry Letters	Journal of Physical Chemistry Letters, 16, 2.76% Journal of Physical Chemistry Letters 16 publications, 2.76%
Materials Today Physics	Materials Today Physics, 15, 2.59% Materials Today Physics 15 publications, 2.59%
Nature Communications	Nature Communications, 13, 2.25% Nature Communications 13 publications, 2.25%
Journal of Materials Chemistry C	Journal of Materials Chemistry C, 13, 2.25% Journal of Materials Chemistry C 13 publications, 2.25%
Physical Review Letters	Physical Review Letters, 12, 2.07% Physical Review Letters 12 publications, 2.07%
Physical Review Materials	Physical Review Materials, 12, 2.07% Physical Review Materials 12 publications, 2.07%
Journal of Applied Physics	Journal of Applied Physics, 11, 1.9% Journal of Applied Physics 11 publications, 1.9%
Journal of Chemical Physics	Journal of Chemical Physics, 11, 1.9% Journal of Chemical Physics 11 publications, 1.9%
Inorganic Chemistry	Inorganic Chemistry, 9, 1.55% Inorganic Chemistry 9 publications, 1.55%
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Journal of Superconductivity and Novel Magnetism	Journal of Superconductivity and Novel Magnetism, 7, 1.21% Journal of Superconductivity and Novel Magnetism 7 publications, 1.21%
Solid State Communications	Solid State Communications, 7, 1.21% Solid State Communications 7 publications, 1.21%
Chinese Physics Letters	Chinese Physics Letters, 7, 1.21% Chinese Physics Letters 7 publications, 1.21%
Superconductor Science and Technology	Superconductor Science and Technology, 7, 1.21% Superconductor Science and Technology 7 publications, 1.21%
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, 6, 1.04% Proceedings of the National Academy of Sciences of the United States of America 6 publications, 1.04%
npj Computational Materials	npj Computational Materials, 6, 1.04% npj Computational Materials 6 publications, 1.04%
Results in Physics	Results in Physics, 6, 1.04% Results in Physics 6 publications, 1.04%
New Journal of Physics	New Journal of Physics, 6, 1.04% New Journal of Physics 6 publications, 1.04%
Journal of the American Chemical Society	Journal of the American Chemical Society, 5, 0.86% Journal of the American Chemical Society 5 publications, 0.86%
ACS Omega	ACS Omega, 5, 0.86% ACS Omega 5 publications, 0.86%
Journal of the Physical Society of Japan	Journal of the Physical Society of Japan, 5, 0.86% Journal of the Physical Society of Japan 5 publications, 0.86%
Nature	Nature, 5, 0.86% Nature 5 publications, 0.86%
Physica B: Condensed Matter	Physica B: Condensed Matter, 5, 0.86% Physica B: Condensed Matter 5 publications, 0.86%
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Citations by publishers

	20 40 60 80 100 120 140 160
American Physical Society (APS)	American Physical Society (APS), 151, 26.08% American Physical Society (APS) 151 publications, 26.08%
Elsevier	Elsevier, 78, 13.47% Elsevier 78 publications, 13.47%
American Chemical Society (ACS)	American Chemical Society (ACS), 62, 10.71% American Chemical Society (ACS) 62 publications, 10.71%
Springer Nature	Springer Nature, 54, 9.33% Springer Nature 54 publications, 9.33%
Royal Society of Chemistry (RSC)	Royal Society of Chemistry (RSC), 52, 8.98% Royal Society of Chemistry (RSC) 52 publications, 8.98%
IOP Publishing	IOP Publishing, 50, 8.64% IOP Publishing 50 publications, 8.64%
American Institute of Physics (AIP)	American Institute of Physics (AIP), 35, 6.04% American Institute of Physics (AIP) 35 publications, 6.04%
Wiley	Wiley, 24, 4.15% Wiley 24 publications, 4.15%
Multidisciplinary Digital Publishing Institute (MDPI)	Multidisciplinary Digital Publishing Institute (MDPI), 9, 1.55% Multidisciplinary Digital Publishing Institute (MDPI) 9 publications, 1.55%
Proceedings of the National Academy of Sciences (PNAS)	Proceedings of the National Academy of Sciences (PNAS), 6, 1.04% Proceedings of the National Academy of Sciences (PNAS) 6 publications, 1.04%
Pleiades Publishing	Pleiades Publishing, 5, 0.86% Pleiades Publishing 5 publications, 0.86%
Physical Society of Japan	Physical Society of Japan, 5, 0.86% Physical Society of Japan 5 publications, 0.86%
Frontiers Media S.A.	Frontiers Media S.A., 5, 0.86% Frontiers Media S.A. 5 publications, 0.86%
Science in China Press	Science in China Press, 4, 0.69% Science in China Press 4 publications, 0.69%
American Association for the Advancement of Science (AAAS)	American Association for the Advancement of Science (AAAS), 3, 0.52% American Association for the Advancement of Science (AAAS) 3 publications, 0.52%
World Scientific	World Scientific, 3, 0.52% World Scientific 3 publications, 0.52%
Taylor & Francis	Taylor & Francis, 3, 0.52% Taylor & Francis 3 publications, 0.52%
Oxford University Press	Oxford University Press, 3, 0.52% Oxford University Press 3 publications, 0.52%
Chinese Physical Society	Chinese Physical Society, 2, 0.35% Chinese Physical Society 2 publications, 0.35%
Uspekhi Fizicheskikh Nauk Journal	Uspekhi Fizicheskikh Nauk Journal, 1, 0.17% Uspekhi Fizicheskikh Nauk Journal 1 publication, 0.17%
Japan Society of Applied Physics	Japan Society of Applied Physics, 1, 0.17% Japan Society of Applied Physics 1 publication, 0.17%
Public Library of Science (PLoS)	Public Library of Science (PLoS), 1, 0.17% Public Library of Science (PLoS) 1 publication, 0.17%
Annual Reviews	Annual Reviews, 1, 0.17% Annual Reviews 1 publication, 0.17%
National Academy of Sciences of Ukraine (Co. LTD Ukrinformnauka) (Publications)	National Academy of Sciences of Ukraine (Co. LTD Ukrinformnauka) (Publications), 1, 0.17% National Academy of Sciences of Ukraine (Co. LTD Ukrinformnauka) (Publications) 1 publication, 0.17%
Technosphera JSC	Technosphera JSC, 1, 0.17% Technosphera JSC 1 publication, 0.17%
	20 40 60 80 100 120 140 160

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Liu H. et al. Potential high-Tc superconducting lanthanum and yttrium hydrides at high pressure // Proceedings of the National Academy of Sciences of the United States of America. 2017. Vol. 114. No. 27. pp. 6990-6995.

GOST all authors (up to 50) Copy

Liu H., Naumov I. I., HOFFMANN R., ASHCROFT N. W., Hemley R. J. Potential high-Tc superconducting lanthanum and yttrium hydrides at high pressure // Proceedings of the National Academy of Sciences of the United States of America. 2017. Vol. 114. No. 27. pp. 6990-6995.

RIS |

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RIS Copy

TY - JOUR

DO - 10.1073/pnas.1704505114

UR - https://doi.org/10.1073%2Fpnas.1704505114

TI - Potential high-Tc superconducting lanthanum and yttrium hydrides at high pressure

T2 - Proceedings of the National Academy of Sciences of the United States of America

AU - Liu, Hanyu

AU - Naumov, Ivan I.

AU - HOFFMANN, ROALD

AU - ASHCROFT, N. W.

AU - Hemley, Russell J.

PY - 2017

DA - 2017/06/19 00:00:00

PB - Proceedings of the National Academy of Sciences (PNAS)

SP - 6990-6995

IS - 27

VL - 114

PMID - 28630301

SN - 0027-8424

SN - 1091-6490

ER -

BibTex |

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BibTex Copy

@article{2017_Liu,

author = {Hanyu Liu and Ivan I. Naumov and ROALD HOFFMANN and N. W. ASHCROFT and Russell J. Hemley},

title = {Potential high-Tc superconducting lanthanum and yttrium hydrides at high pressure},

journal = {Proceedings of the National Academy of Sciences of the United States of America},

year = {2017},

volume = {114},

publisher = {Proceedings of the National Academy of Sciences (PNAS)},

month = {jun},

url = {https://doi.org/10.1073%2Fpnas.1704505114},

number = {27},

pages = {6990--6995},

doi = {10.1073/pnas.1704505114}

}

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Liu, Hanyu, et al. “Potential high-Tc superconducting lanthanum and yttrium hydrides at high pressure.” Proceedings of the National Academy of Sciences of the United States of America, vol. 114, no. 27, Jun. 2017, pp. 6990-6995. https://doi.org/10.1073%2Fpnas.1704505114.

Found error?

Publisher

Proceedings of the National Academy of Sciences (PNAS)

Journal

Proceedings of the National Academy of Sciences of the United States of America

Quartile SCImago

Quartile WOS

Impact factor

11.1

ISSN

00278424 (Print)
10916490 (Electronic)