IDEAS home Printed from https://ideas.repec.org/a/nat/natcom/v15y2024i1d10.1038_s41467-023-44326-4.html
   My bibliography  Save this article

Temperature and quantum anharmonic lattice effects on stability and superconductivity in lutetium trihydride

Author

Listed:
  • Roman Lucrezi

    (Graz University of Technology)

  • Pedro P. Ferreira

    (Graz University of Technology
    Universidade de São Paulo, Escola de Engenharia de Lorena, DEMAR)

  • Markus Aichhorn

    (Graz University of Technology)

  • Christoph Heil

    (Graz University of Technology)

Abstract

In this work, we resolve conflicting experimental and theoretical findings related to the dynamical stability and superconducting properties of $$Fm\bar{3}m$$ F m 3 ¯ m -LuH3, which was recently suggested as the parent phase harboring room-temperature superconductivity at near-ambient pressures. Including temperature and quantum anharmonic lattice effects in our calculations, we demonstrate that the theoretically predicted structural instability of the $$Fm\bar{3}m$$ F m 3 ¯ m phase near ambient pressures is suppressed for temperatures above 200 K. We provide a p–T phase diagram for stability up to pressures of 6 GPa, where the required temperature for stability is reduced to T > 80 K. We also determine the superconducting critical temperature Tc of $$Fm\bar{3}m$$ F m 3 ¯ m -LuH3 within the Migdal-Eliashberg formalism, using temperature- and quantum-anharmonically-corrected phonon dispersions, finding that the expected Tc for electron-phonon mediated superconductivity is in the range of 50–60 K, i.e., well below the temperatures required to stabilize the lattice. When considering moderate doping based on rigidly shifting the Fermi level, Tc decreases for both hole and electron doping. Our results thus provide evidence that any observed room-temperature superconductivity in pure or doped $$Fm\bar{3}m$$ F m 3 ¯ m -LuH3, if confirmed, cannot be explained by a conventional electron-phonon mediated pairing mechanism.

Suggested Citation

  • Roman Lucrezi & Pedro P. Ferreira & Markus Aichhorn & Christoph Heil, 2024. "Temperature and quantum anharmonic lattice effects on stability and superconductivity in lutetium trihydride," Nature Communications, Nature, vol. 15(1), pages 1-7, December.
  • Handle: RePEc:nat:natcom:v:15:y:2024:i:1:d:10.1038_s41467-023-44326-4
    DOI: 10.1038/s41467-023-44326-4
    as

    Download full text from publisher

    File URL: https://www.nature.com/articles/s41467-023-44326-4
    File Function: Abstract
    Download Restriction: no

    File URL: https://libkey.io/10.1038/s41467-023-44326-4?utm_source=ideas
    LibKey link: if access is restricted and if your library uses this service, LibKey will redirect you to where you can use your library subscription to access this item
    ---><---

    References listed on IDEAS

    as
    1. Xiangzhuo Xing & Chao Wang & Linchao Yu & Jie Xu & Chutong Zhang & Mengge Zhang & Song Huang & Xiaoran Zhang & Yunxian Liu & Bingchao Yang & Xin Chen & Yongsheng Zhang & Jiangang Guo & Zhixiang Shi & , 2023. "Observation of non-superconducting phase changes in nitrogen doped lutetium hydrides," Nature Communications, Nature, vol. 14(1), pages 1-9, December.
    2. Xue Ming & Ying-Jie Zhang & Xiyu Zhu & Qing Li & Chengping He & Yuecong Liu & Tianheng Huang & Gan Liu & Bo Zheng & Huan Yang & Jian Sun & Xiaoxiang Xi & Hai-Hu Wen, 2023. "Absence of near-ambient superconductivity in LuH2±xNy," Nature, Nature, vol. 620(7972), pages 72-77, August.
    3. Pedro P. Ferreira & Lewis J. Conway & Alessio Cucciari & Simone Cataldo & Federico Giannessi & Eva Kogler & Luiz T. F. Eleno & Chris J. Pickard & Christoph Heil & Lilia Boeri, 2023. "Search for ambient superconductivity in the Lu-N-H system," Nature Communications, Nature, vol. 14(1), pages 1-10, December.
    4. Ion Errea & Francesco Belli & Lorenzo Monacelli & Antonio Sanna & Takashi Koretsune & Terumasa Tadano & Raffaello Bianco & Matteo Calandra & Ryotaro Arita & Francesco Mauri & José A. Flores-Livas, 2020. "Quantum crystal structure in the 250-kelvin superconducting lanthanum hydride," Nature, Nature, vol. 578(7793), pages 66-69, February.
    Full references (including those not matched with items on IDEAS)

    Citations

    Citations are extracted by the CitEc Project, subscribe to its RSS feed for this item.
    as


    Cited by:

    1. Cesare Tresca & Pietro Maria Forcella & Andrea Angeletti & Luigi Ranalli & Cesare Franchini & Michele Reticcioli & Gianni Profeta, 2024. "Molecular hydrogen in the N-doped LuH3 system as a possible path to superconductivity," Nature Communications, Nature, vol. 15(1), pages 1-7, December.

    Most related items

    These are the items that most often cite the same works as this one and are cited by the same works as this one.
    1. Cesare Tresca & Pietro Maria Forcella & Andrea Angeletti & Luigi Ranalli & Cesare Franchini & Michele Reticcioli & Gianni Profeta, 2024. "Molecular hydrogen in the N-doped LuH3 system as a possible path to superconductivity," Nature Communications, Nature, vol. 15(1), pages 1-7, December.
    2. Sun-Woo Kim & Lewis J. Conway & Chris J. Pickard & G. Lucian Pascut & Bartomeu Monserrat, 2023. "Microscopic theory of colour in lutetium hydride," Nature Communications, Nature, vol. 14(1), pages 1-9, December.
    3. Cong Liu & Ion Errea & Chi Ding & Chris Pickard & Lewis J. Conway & Bartomeu Monserrat & Yue-Wen Fang & Qing Lu & Jian Sun & Jordi Boronat & Claudio Cazorla, 2023. "Excitonic insulator to superconductor phase transition in ultra-compressed helium," Nature Communications, Nature, vol. 14(1), pages 1-9, December.
    4. Cheng Hu & Jiajun Chen & Xianliang Zhou & Yufeng Xie & Xinyue Huang & Zhenghan Wu & Saiqun Ma & Zhichun Zhang & Kunqi Xu & Neng Wan & Yueheng Zhang & Qi Liang & Zhiwen Shi, 2024. "Collapse of carbon nanotubes due to local high-pressure from van der Waals encapsulation," Nature Communications, Nature, vol. 15(1), pages 1-8, December.
    5. Wuhao Chen & Xiaoli Huang & Dmitrii V. Semenok & Su Chen & Di Zhou & Kexin Zhang & Artem R. Oganov & Tian Cui, 2023. "Enhancement of superconducting properties in the La–Ce–H system at moderate pressures," Nature Communications, Nature, vol. 14(1), pages 1-8, December.
    6. Dominique Laniel & Florian Trybel & Bjoern Winkler & Florian Knoop & Timofey Fedotenko & Saiana Khandarkhaeva & Alena Aslandukova & Thomas Meier & Stella Chariton & Konstantin Glazyrin & Victor Milman, 2022. "High-pressure synthesis of seven lanthanum hydrides with a significant variability of hydrogen content," Nature Communications, Nature, vol. 13(1), pages 1-9, December.
    7. Jingkai Bi & Yuki Nakamoto & Peiyu Zhang & Katsuya Shimizu & Bo Zou & Hanyu Liu & Mi Zhou & Guangtao Liu & Hongbo Wang & Yanming Ma, 2022. "Giant enhancement of superconducting critical temperature in substitutional alloy (La,Ce)H9," Nature Communications, Nature, vol. 13(1), pages 1-7, December.
    8. Xiangzhuo Xing & Chao Wang & Linchao Yu & Jie Xu & Chutong Zhang & Mengge Zhang & Song Huang & Xiaoran Zhang & Yunxian Liu & Bingchao Yang & Xin Chen & Yongsheng Zhang & Jiangang Guo & Zhixiang Shi & , 2023. "Observation of non-superconducting phase changes in nitrogen doped lutetium hydrides," Nature Communications, Nature, vol. 14(1), pages 1-9, December.
    9. Dan Sun & Vasily S. Minkov & Shirin Mozaffari & Ying Sun & Yanming Ma & Stella Chariton & Vitali B. Prakapenka & Mikhail I. Eremets & Luis Balicas & Fedor F. Balakirev, 2021. "High-temperature superconductivity on the verge of a structural instability in lanthanum superhydride," Nature Communications, Nature, vol. 12(1), pages 1-7, December.

    More about this item

    Statistics

    Access and download statistics

    Corrections

    All material on this site has been provided by the respective publishers and authors. You can help correct errors and omissions. When requesting a correction, please mention this item's handle: RePEc:nat:natcom:v:15:y:2024:i:1:d:10.1038_s41467-023-44326-4. See general information about how to correct material in RePEc.

    If you have authored this item and are not yet registered with RePEc, we encourage you to do it here. This allows to link your profile to this item. It also allows you to accept potential citations to this item that we are uncertain about.

    If CitEc recognized a bibliographic reference but did not link an item in RePEc to it, you can help with this form .

    If you know of missing items citing this one, you can help us creating those links by adding the relevant references in the same way as above, for each refering item. If you are a registered author of this item, you may also want to check the "citations" tab in your RePEc Author Service profile, as there may be some citations waiting for confirmation.

    For technical questions regarding this item, or to correct its authors, title, abstract, bibliographic or download information, contact: Sonal Shukla or Springer Nature Abstracting and Indexing (email available below). General contact details of provider: http://www.nature.com .

    Please note that corrections may take a couple of weeks to filter through the various RePEc services.

    IDEAS is a RePEc service. RePEc uses bibliographic data supplied by the respective publishers.