DOI: 10.1073/pnas.1704505114. Potential high- <i> T <sub>c</sub> </i> superconducting lanthanum and yttrium hydrides at high pressure

Potential high- T c superconducting lanthanum and yttrium hydrides at high pressure

10.1073/pnas.1704505114

Crossref journal-article

Proceedings of the National Academy of Sciences

Proceedings of the National Academy of Sciences (341)

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.

Bibliography

Liu, H., Naumov, I. I., Hoffmann, R., Ashcroft, N. W., & Hemley, R. J. (2017). Potential high- T c superconducting lanthanum and yttrium hydrides at high pressure. Proceedings of the National Academy of Sciences, 114(27), 6990â6995.

Authors 5

Hanyu Liu (first)
Ivan I. Naumov (additional)
Roald Hoffmann (additional)
N. W. Ashcroft (additional)
Russell J. Hemley (additional)

References 58 Referenced 787

10.1103/PhysRevLett.21.1748
10.1103/PhysRevLett.92.187002
10.1103/PhysRev.106.162
10.1126/science.1153282
10.1103/PhysRevLett.101.077002
10.1073/pnas.0908262106
10.1103/PhysRevB.83.144102
10.1021/acs.jpclett.5b01839
10.1038/ncomms12267
A Shamp, E Zurek, Superconductivity in hydrides doped with main group elements under pressure. Novel Supercond Mat 3, 14–22 (2017). / Novel Supercond Mat / Superconductivity in hydrides doped with main group elements under pressure by Shamp A (2017)
10.1103/PhysRevLett.96.017006
10.1103/PhysRevLett.98.117004
10.1103/PhysRevLett.101.107002
10.1073/pnas.1007354107
10.1103/PhysRevLett.109.157004
10.1103/PhysRevLett.103.077002
10.1073/pnas.1118168109
10.1103/PhysRevB.88.184104
10.1063/1.4874158
10.1038/nature14964
10.1103/PhysRevLett.114.157004
10.1103/PhysRevB.93.020103
10.1038/nphys3760
10.1038/srep06968
AP Drozdov MI Eremets IA Troyan Superconductivity above 100 K in PH 3 at high pressures. arXiv:1508.06224. (2015).
10.1021/jacs.5b10180
10.1021/acs.jpcc.5b12009
10.1103/PhysRevB.93.020508
10.1039/C5RA11459D
10.1038/srep09948
10.1103/PhysRevB.82.094116
10.1016/j.cpc.2012.05.008
10.1021/jp301596v
10.1103/PhysRevLett.106.145501
10.1039/C5NR03344F
10.1038/nchem.1754
10.1038/nchem.1925
10.1073/pnas.1601254113
10.1021/acs.jpclett.6b02001
10.1103/PhysRevLett.77.3865
10.1021/jp100368e
10.1103/PhysRevB.91.184511
10.1103/PhysRevLett.106.165302
10.1016/0038-1098(72)90603-5
10.1103/PhysRevB.78.214510
10.1103/PhysRevB.81.144507
10.1021/j100135a014
10.1103/PhysRevB.53.8238
10.1103/PhysRevB.73.094522
10.1140/epjb/e2016-70078-6
10.1088/0953-8984/28/49/494001
10.1103/PhysRevB.93.174308
10.1103/PhysRevLett.21.1315
10.1088/0953-8984/24/36/362201
10.1088/0953-8984/24/15/155701
10.1103/PhysRevLett.107.037002
10.1103/PhysRevLett.116.057002
10.1103/PhysRevLett.107.117002

Dates

Type	When
Created	8 years, 1 month ago (July 3, 2017, 4:10 p.m.)
Deposited	3 years, 4 months ago (April 13, 2022, 2:58 a.m.)
Indexed	11 minutes ago (Aug. 27, 2025, 2:54 a.m.)
Issued	8 years, 2 months ago (June 19, 2017)
Published	8 years, 2 months ago (June 19, 2017)
Published Online	8 years, 2 months ago (June 19, 2017)
Published Print	8 years, 1 month ago (July 3, 2017)

Funders 1

U.S. Department of Energy 10.13039/100000015
Region: Americas
gov (National government)
Labels8
1. Energy Department
2. Department of Energy
3. United States Department of Energy
4. ENERGY.GOV
5. US Department of Energy
6. USDOE
7. DOE
8. USADOE
Awards1
1. DE-SC0001057

BibTeX

@article{Liu_2017, title={Potential high- T c superconducting lanthanum and yttrium hydrides at high pressure}, volume={114}, ISSN={1091-6490}, url={http://dx.doi.org/10.1073/pnas.1704505114}, DOI={10.1073/pnas.1704505114}, number={27}, journal={Proceedings of the National Academy of Sciences}, publisher={Proceedings of the National Academy of Sciences}, author={Liu, Hanyu and Naumov, Ivan I. and Hoffmann, Roald and Ashcroft, N. W. and Hemley, Russell J.}, year={2017}, month=jun, pages={6990–6995} }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2025,
        8,
        27
      ]
    ],
    "date-time": "2025-08-27T06:54:56Z",
    "timestamp": 1756277696772,
    "version": "3.37.3"
  },
  "reference-count": 58,
  "publisher": "Proceedings of the National Academy of Sciences",
  "issue": "27",
  "license": [
    {
      "start": {
        "date-parts": [
          [
            2017,
            12,
            19
          ]
        ],
        "date-time": "2017-12-19T00:00:00Z",
        "timestamp": 1513641600000
      },
      "content-version": "vor",
      "delay-in-days": 183,
      "URL": "http://www.pnas.org/site/misc/userlicense.xhtml"
    }
  ],
  "funder": [
    {
      "DOI": "10.13039/100000015",
      "name": "U.S. Department of Energy",
      "doi-asserted-by": "publisher",
      "award": [
        "DE-SC0001057"
      ],
      "id": [
        {
          "id": "10.13039/100000015",
          "id-type": "DOI",
          "asserted-by": "publisher"
        }
      ]
    }
  ],
  "content-domain": {
    "domain": [
      "www.pnas.org"
    ],
    "crossmark-restriction": true
  },
  "published-print": {
    "date-parts": [
      [
        2017,
        7,
        3
      ]
    ]
  },
  "abstract": "<jats:title>Significance</jats:title>\n          <jats:p>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\u2013phonon 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.</jats:p>",
  "DOI": "10.1073/pnas.1704505114",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2017,
        7,
        3
      ]
    ],
    "date-time": "2017-07-03T20:10:43Z",
    "timestamp": 1499112643000
  },
  "page": "6990-6995",
  "update-policy": "https://doi.org/10.1073/pnas.cm10313",
  "source": "Crossref",
  "is-referenced-by-count": 787,
  "title": "Potential high-\n            <i>\n              T\n              <sub>c</sub>\n            </i>\n            superconducting lanthanum and yttrium hydrides at high pressure",
  "prefix": "10.1073",
  "volume": "114",
  "author": [
    {
      "given": "Hanyu",
      "family": "Liu",
      "sequence": "first",
      "affiliation": [
        {
          "name": "Geophysical Laboratory, Carnegie Institution of Washington, Washington, DC 20015;"
        }
      ]
    },
    {
      "given": "Ivan I.",
      "family": "Naumov",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Geophysical Laboratory, Carnegie Institution of Washington, Washington, DC 20015;"
        }
      ]
    },
    {
      "given": "Roald",
      "family": "Hoffmann",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Department of Chemistry and Chemical Biology, Cornell University, Ithaca, NY 14853;"
        }
      ]
    },
    {
      "given": "N. W.",
      "family": "Ashcroft",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Laboratory of Atomic and Solid State Physics, Cornell University, Ithaca, NY 14853;"
        }
      ]
    },
    {
      "given": "Russell J.",
      "family": "Hemley",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Department of Civil and Environmental Engineering, The George Washington University, Washington, DC 20052;"
        },
        {
          "name": "School of Applied and Engineering Physics, Cornell University, Ithaca, NY 14853"
        }
      ]
    }
  ],
  "member": "341",
  "published-online": {
    "date-parts": [
      [
        2017,
        6,
        19
      ]
    ]
  },
  "reference": [
    {
      "key": "e_1_3_3_1_2",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevLett.21.1748"
    },
    {
      "key": "e_1_3_3_2_2",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevLett.92.187002"
    },
    {
      "key": "e_1_3_3_3_2",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRev.106.162"
    },
    {
      "key": "e_1_3_3_4_2",
      "doi-asserted-by": "publisher",
      "DOI": "10.1126/science.1153282"
    },
    {
      "key": "e_1_3_3_5_2",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevLett.101.077002"
    },
    {
      "key": "e_1_3_3_6_2",
      "doi-asserted-by": "publisher",
      "DOI": "10.1073/pnas.0908262106"
    },
    {
      "key": "e_1_3_3_7_2",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.83.144102"
    },
    {
      "key": "e_1_3_3_8_2",
      "doi-asserted-by": "publisher",
      "DOI": "10.1021/acs.jpclett.5b01839"
    },
    {
      "key": "e_1_3_3_9_2",
      "doi-asserted-by": "publisher",
      "DOI": "10.1038/ncomms12267"
    },
    {
      "key": "e_1_3_3_10_2",
      "first-page": "14",
      "article-title": "Superconductivity in hydrides doped with main group elements under pressure",
      "volume": "3",
      "author": "Shamp A",
      "year": "2017",
      "unstructured": "A Shamp, E Zurek, Superconductivity in hydrides doped with main group elements under pressure. Novel Supercond Mat 3, 14\u201322 (2017).",
      "journal-title": "Novel Supercond Mat"
    },
    {
      "key": "e_1_3_3_11_2",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevLett.96.017006"
    },
    {
      "key": "e_1_3_3_12_2",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevLett.98.117004"
    },
    {
      "key": "e_1_3_3_13_2",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevLett.101.107002"
    },
    {
      "key": "e_1_3_3_14_2",
      "doi-asserted-by": "publisher",
      "DOI": "10.1073/pnas.1007354107"
    },
    {
      "key": "e_1_3_3_15_2",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevLett.109.157004"
    },
    {
      "key": "e_1_3_3_16_2",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevLett.103.077002"
    },
    {
      "key": "e_1_3_3_17_2",
      "doi-asserted-by": "publisher",
      "DOI": "10.1073/pnas.1118168109"
    },
    {
      "key": "e_1_3_3_18_2",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.88.184104"
    },
    {
      "key": "e_1_3_3_19_2",
      "doi-asserted-by": "publisher",
      "DOI": "10.1063/1.4874158"
    },
    {
      "key": "e_1_3_3_20_2",
      "doi-asserted-by": "publisher",
      "DOI": "10.1038/nature14964"
    },
    {
      "key": "e_1_3_3_21_2",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevLett.114.157004"
    },
    {
      "key": "e_1_3_3_22_2",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.93.020103"
    },
    {
      "key": "e_1_3_3_23_2",
      "doi-asserted-by": "publisher",
      "DOI": "10.1038/nphys3760"
    },
    {
      "key": "e_1_3_3_24_2",
      "doi-asserted-by": "publisher",
      "DOI": "10.1038/srep06968"
    },
    {
      "key": "e_1_3_3_25_2",
      "unstructured": "AP Drozdov MI Eremets IA Troyan Superconductivity above 100 K in PH 3 at high pressures. arXiv:1508.06224. (2015)."
    },
    {
      "key": "e_1_3_3_26_2",
      "doi-asserted-by": "publisher",
      "DOI": "10.1021/jacs.5b10180"
    },
    {
      "key": "e_1_3_3_27_2",
      "doi-asserted-by": "publisher",
      "DOI": "10.1021/acs.jpcc.5b12009"
    },
    {
      "key": "e_1_3_3_28_2",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.93.020508"
    },
    {
      "key": "e_1_3_3_29_2",
      "doi-asserted-by": "publisher",
      "DOI": "10.1039/C5RA11459D"
    },
    {
      "key": "e_1_3_3_30_2",
      "doi-asserted-by": "publisher",
      "DOI": "10.1038/srep09948"
    },
    {
      "key": "e_1_3_3_31_2",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.82.094116"
    },
    {
      "key": "e_1_3_3_32_2",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/j.cpc.2012.05.008"
    },
    {
      "key": "e_1_3_3_33_2",
      "doi-asserted-by": "publisher",
      "DOI": "10.1021/jp301596v"
    },
    {
      "key": "e_1_3_3_34_2",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevLett.106.145501"
    },
    {
      "key": "e_1_3_3_35_2",
      "doi-asserted-by": "publisher",
      "DOI": "10.1039/C5NR03344F"
    },
    {
      "key": "e_1_3_3_36_2",
      "doi-asserted-by": "publisher",
      "DOI": "10.1038/nchem.1754"
    },
    {
      "key": "e_1_3_3_37_2",
      "doi-asserted-by": "publisher",
      "DOI": "10.1038/nchem.1925"
    },
    {
      "key": "e_1_3_3_38_2",
      "doi-asserted-by": "publisher",
      "DOI": "10.1073/pnas.1601254113"
    },
    {
      "key": "e_1_3_3_39_2",
      "doi-asserted-by": "publisher",
      "DOI": "10.1021/acs.jpclett.6b02001"
    },
    {
      "key": "e_1_3_3_40_2",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevLett.77.3865"
    },
    {
      "key": "e_1_3_3_41_2",
      "doi-asserted-by": "publisher",
      "DOI": "10.1021/jp100368e"
    },
    {
      "key": "e_1_3_3_42_2",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.91.184511"
    },
    {
      "key": "e_1_3_3_43_2",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevLett.106.165302"
    },
    {
      "key": "e_1_3_3_44_2",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/0038-1098(72)90603-5"
    },
    {
      "key": "e_1_3_3_45_2",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.78.214510"
    },
    {
      "key": "e_1_3_3_46_2",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.81.144507"
    },
    {
      "key": "e_1_3_3_47_2",
      "doi-asserted-by": "publisher",
      "DOI": "10.1021/j100135a014"
    },
    {
      "key": "e_1_3_3_48_2",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.53.8238"
    },
    {
      "key": "e_1_3_3_49_2",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.73.094522"
    },
    {
      "key": "e_1_3_3_50_2",
      "doi-asserted-by": "publisher",
      "DOI": "10.1140/epjb/e2016-70078-6"
    },
    {
      "key": "e_1_3_3_51_2",
      "doi-asserted-by": "publisher",
      "DOI": "10.1088/0953-8984/28/49/494001"
    },
    {
      "key": "e_1_3_3_52_2",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.93.174308"
    },
    {
      "key": "e_1_3_3_53_2",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevLett.21.1315"
    },
    {
      "key": "e_1_3_3_54_2",
      "doi-asserted-by": "publisher",
      "DOI": "10.1088/0953-8984/24/36/362201"
    },
    {
      "key": "e_1_3_3_55_2",
      "doi-asserted-by": "publisher",
      "DOI": "10.1088/0953-8984/24/15/155701"
    },
    {
      "key": "e_1_3_3_56_2",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevLett.107.037002"
    },
    {
      "key": "e_1_3_3_57_2",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevLett.116.057002"
    },
    {
      "key": "e_1_3_3_58_2",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevLett.107.117002"
    }
  ],
  "container-title": "Proceedings of the National Academy of Sciences",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "http://www.pnas.org/syndication/doi/10.1073/pnas.1704505114",
      "content-type": "unspecified",
      "content-version": "vor",
      "intended-application": "syndication"
    },
    {
      "URL": "https://pnas.org/doi/pdf/10.1073/pnas.1704505114",
      "content-type": "unspecified",
      "content-version": "vor",
      "intended-application": "similarity-checking"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2022,
        4,
        13
      ]
    ],
    "date-time": "2022-04-13T06:58:43Z",
    "timestamp": 1649833123000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://pnas.org/doi/full/10.1073/pnas.1704505114"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        2017,
        6,
        19
      ]
    ]
  },
  "references-count": 58,
  "journal-issue": {
    "issue": "27",
    "published-print": {
      "date-parts": [
        [
          2017,
          7,
          3
        ]
      ]
    }
  },
  "alternative-id": [
    "10.1073/pnas.1704505114"
  ],
  "URL": "http://dx.doi.org/10.1073/pnas.1704505114",
  "relation": {},
  "ISSN": [
    "0027-8424",
    "1091-6490"
  ],
  "subject": [],
  "container-title-short": "Proc. Natl. Acad. Sci. U.S.A.",
  "published": {
    "date-parts": [
      [
        2017,
        6,
        19
      ]
    ]
  },
  "assertion": [
    {
      "value": "2017-06-19",
      "order": 2,
      "name": "published",
      "label": "Published",
      "group": {
        "name": "publication_history",
        "label": "Publication History"
      }
    }
  ]
}