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Physical Review Letters, volume 119, issue 10, publication number 107001

Hydrogen Clathrate Structures in Rare Earth Hydrides at High Pressures: Possible Route to Room-Temperature Superconductivity.

Peng Feng ^{1, 2, 3}

Sun Ying ³

Pickard C. J. ⁴

Needs R. J. ⁵

Wu Qiang ⁶

Ma Yan-Ming ^{3, 7}

Hide authors affiliations Show authors affiliations: 7 affiliations

Beijing Computational Science Research Center, Beijing 10084, China |

College of Physics and Electronic Information, Luoyang Normal University, Luoyang 471022, China and Henan Key Laboratory of Electromagnetic Transformation and Detection, Luoyang 471022, China |

State key Laboratory of Superhard Materials, College of Physics, Jilin University, Changchun 130012, China |

⁴

Department of Materials Science and Metallurgy, University of Cambridge, 27 Charles Babbage Road, Cambridge CB3 0FS, United Kingdom and Advanced Institute for Materials Research, Tohoku University, 2–1–1 Katahira, Aoba, Sendai 980-8577, Japan |

⁵

Theory of Condensed Matter Group, Cavendish Laboratory, JJ Thomson Avenue, Cambridge CB3 0HE, United Kingdom |

⁶

National key Laboratory of Shock Wave and Detonation Physics, Institute of Fluid Physics, CAEP, Mianyang 621900, China |

⁷

International Center of Future Science, Jilin University, Changchun 130012, China |

Publication type: Journal Article

Publication date: 2017-09-08

American Physical Society (APS)

Journal: Physical Review Letters

Quartile SCImago

Quartile WOS

Impact factor: 8.6

ISSN: 00319007, 10797114

DOI: 10.1103/PhysRevLett.119.107001

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General Physics and Astronomy

Abstract

Room-temperature superconductivity has been a long-held dream and an area of intensive research. Recent experimental findings of superconductivity at 200 K in highly compressed hydrogen (H) sulfides have demonstrated the potential for achieving room-temperature superconductivity in compressed H-rich materials. We report first-principles structure searches for stable H-rich clathrate structures in rare earth hydrides at high pressures. The peculiarity of these structures lies in the emergence of unusual H cages with stoichiometries H_{24}, H_{29}, and H_{32}, in which H atoms are weakly covalently bonded to one another, with rare earth atoms occupying the centers of the cages. We have found that high-temperature superconductivity is closely associated with H clathrate structures, with large H-derived electronic densities of states at the Fermi level and strong electron-phonon coupling related to the stretching and rocking motions of H atoms within the cages. Strikingly, a yttrium (Y) H_{32} clathrate structure of stoichiometry YH_{10} is predicted to be a potential room-temperature superconductor with an estimated T_{c} of up to 303 K at 400 GPa, as derived by direct solution of the Eliashberg equation.

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Journal of Physical Chemistry Letters	Journal of Physical Chemistry Letters, 17, 3.25% Journal of Physical Chemistry Letters 17 publications, 3.25%
Journal of Physics Condensed Matter	Journal of Physics Condensed Matter, 15, 2.87% Journal of Physics Condensed Matter 15 publications, 2.87%
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Journal of Applied Physics	Journal of Applied Physics, 13, 2.49% Journal of Applied Physics 13 publications, 2.49%
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Nature	Nature, 7, 1.34% Nature 7 publications, 1.34%
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Journal of the American Chemical Society	Journal of the American Chemical Society, 6, 1.15% Journal of the American Chemical Society 6 publications, 1.15%
Physical Review Research	Physical Review Research, 6, 1.15% Physical Review Research 6 publications, 1.15%
Journal of Superconductivity and Novel Magnetism	Journal of Superconductivity and Novel Magnetism, 6, 1.15% Journal of Superconductivity and Novel Magnetism 6 publications, 1.15%
Solid State Communications	Solid State Communications, 6, 1.15% Solid State Communications 6 publications, 1.15%
ACS Omega	ACS Omega, 6, 1.15% ACS Omega 6 publications, 1.15%
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, 5, 0.96% Proceedings of the National Academy of Sciences of the United States of America 5 publications, 0.96%
Scientific Reports	Scientific Reports, 5, 0.96% Scientific Reports 5 publications, 0.96%
npj Computational Materials	npj Computational Materials, 5, 0.96% npj Computational Materials 5 publications, 0.96%
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Citations by publishers

	20 40 60 80 100 120 140 160
American Physical Society (APS)	American Physical Society (APS), 150, 28.68% American Physical Society (APS) 150 publications, 28.68%
American Chemical Society (ACS)	American Chemical Society (ACS), 65, 12.43% American Chemical Society (ACS) 65 publications, 12.43%
Elsevier	Elsevier, 63, 12.05% Elsevier 63 publications, 12.05%
Springer Nature	Springer Nature, 54, 10.33% Springer Nature 54 publications, 10.33%
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IOP Publishing	IOP Publishing, 42, 8.03% IOP Publishing 42 publications, 8.03%
American Institute of Physics (AIP)	American Institute of Physics (AIP), 34, 6.5% American Institute of Physics (AIP) 34 publications, 6.5%
Wiley	Wiley, 18, 3.44% Wiley 18 publications, 3.44%
Multidisciplinary Digital Publishing Institute (MDPI)	Multidisciplinary Digital Publishing Institute (MDPI), 8, 1.53% Multidisciplinary Digital Publishing Institute (MDPI) 8 publications, 1.53%
Proceedings of the National Academy of Sciences (PNAS)	Proceedings of the National Academy of Sciences (PNAS), 5, 0.96% Proceedings of the National Academy of Sciences (PNAS) 5 publications, 0.96%
Frontiers Media S.A.	Frontiers Media S.A., 4, 0.76% Frontiers Media S.A. 4 publications, 0.76%
Science in China Press	Science in China Press, 4, 0.76% Science in China Press 4 publications, 0.76%
American Association for the Advancement of Science (AAAS)	American Association for the Advancement of Science (AAAS), 3, 0.57% American Association for the Advancement of Science (AAAS) 3 publications, 0.57%
Oxford University Press	Oxford University Press, 3, 0.57% Oxford University Press 3 publications, 0.57%
Chinese Physical Society	Chinese Physical Society, 3, 0.57% Chinese Physical Society 3 publications, 0.57%
World Scientific	World Scientific, 2, 0.38% World Scientific 2 publications, 0.38%
EDP Sciences	EDP Sciences, 1, 0.19% EDP Sciences 1 publication, 0.19%
Physical Society of Japan	Physical Society of Japan, 1, 0.19% Physical Society of Japan 1 publication, 0.19%
Pleiades Publishing	Pleiades Publishing, 1, 0.19% Pleiades Publishing 1 publication, 0.19%
Taylor & Francis	Taylor & Francis, 1, 0.19% Taylor & Francis 1 publication, 0.19%
Optical Society of America	Optical Society of America, 1, 0.19% Optical Society of America 1 publication, 0.19%
Annual Reviews	Annual Reviews, 1, 0.19% Annual Reviews 1 publication, 0.19%
National Academy of Sciences of Ukraine (Co. LTD Ukrinformnauka) (Publications)	National Academy of Sciences of Ukraine (Co. LTD Ukrinformnauka) (Publications), 1, 0.19% National Academy of Sciences of Ukraine (Co. LTD Ukrinformnauka) (Publications) 1 publication, 0.19%
	20 40 60 80 100 120 140 160

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Peng F. et al. Hydrogen Clathrate Structures in Rare Earth Hydrides at High Pressures: Possible Route to Room-Temperature Superconductivity. // Physical Review Letters. 2017. Vol. 119. No. 10. 107001

GOST all authors (up to 50) Copy

Peng F., Sun Y., Pickard C. J., Needs R. J., Wu Q., Ma Y. Hydrogen Clathrate Structures in Rare Earth Hydrides at High Pressures: Possible Route to Room-Temperature Superconductivity. // Physical Review Letters. 2017. Vol. 119. No. 10. 107001

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RIS Copy

TY - JOUR

DO - 10.1103/PhysRevLett.119.107001

UR - https://doi.org/10.1103%2FPhysRevLett.119.107001

TI - Hydrogen Clathrate Structures in Rare Earth Hydrides at High Pressures: Possible Route to Room-Temperature Superconductivity.

T2 - Physical Review Letters

AU - Peng, Feng

AU - Sun, Ying

AU - Pickard, C. J.

AU - Needs, R. J.

AU - Wu, Qiang

AU - Ma, Yan-Ming

PY - 2017

DA - 2017/09/08 00:00:00

PB - American Physical Society (APS)

IS - 10

VL - 119

SN - 0031-9007

SN - 1079-7114

ER -

BibTex

Cite this

BibTex Copy

@article{2017_Peng,

author = {Feng Peng and Ying Sun and C. J. Pickard and R. J. Needs and Qiang Wu and Yan-Ming Ma},

title = {Hydrogen Clathrate Structures in Rare Earth Hydrides at High Pressures: Possible Route to Room-Temperature Superconductivity.},

journal = {Physical Review Letters},

year = {2017},

volume = {119},

publisher = {American Physical Society (APS)},

month = {sep},

url = {https://doi.org/10.1103%2FPhysRevLett.119.107001},

number = {10},

doi = {10.1103/PhysRevLett.119.107001}

}

Found error?

Publisher

American Physical Society (APS)

Journal

Physical Review Letters

Quartile SCImago

Quartile WOS

Impact factor

8.6

ISSN

00319007 (Print)
10797114 (Electronic)

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