Potential high- T c superconducting lanthanum and yttrium hydrides at high pressure
Abstract
In this paper, 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. Finally, the study suggests that dense hydrides consisting of these and related hydrogen polyhedral networks may represent new classes of potential very high-temperature superconductors.
- Authors:
-
- 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,
- Department of Civil and Environmental Engineering, The George Washington University, Washington, DC 20052,, School of Applied and Engineering Physics, Cornell University, Ithaca, NY 14853
- Publication Date:
- Research Org.:
- Carnegie Inst. of Washington, Washington, DC (United States); Energy Frontier Research Centers (EFRC) (United States). Energy Frontier Research in Extreme Environments (EFree)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE National Nuclear Security Administration (NNSA)
- OSTI Identifier:
- 1367773
- Alternate Identifier(s):
- OSTI ID: 1465964
- Grant/Contract Number:
- SC0001057; NA0002006
- Resource Type:
- Published Article
- Journal Name:
- Proceedings of the National Academy of Sciences of the United States of America
- Additional Journal Information:
- Journal Name: Proceedings of the National Academy of Sciences of the United States of America Journal Volume: 114 Journal Issue: 27; Journal ID: ISSN 0027-8424
- Publisher:
- Proceedings of the National Academy of Sciences
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; high pressure; superconductivity; hydrides; structure search
Citation Formats
Liu, Hanyu, Naumov, Ivan I., Hoffmann, Roald, Ashcroft, N. W., and Hemley, Russell J. Potential high- T c superconducting lanthanum and yttrium hydrides at high pressure. United States: N. p., 2017.
Web. doi:10.1073/pnas.1704505114.
Liu, Hanyu, Naumov, Ivan I., Hoffmann, Roald, Ashcroft, N. W., & Hemley, Russell J. Potential high- T c superconducting lanthanum and yttrium hydrides at high pressure. United States. https://doi.org/10.1073/pnas.1704505114
Liu, Hanyu, Naumov, Ivan I., Hoffmann, Roald, Ashcroft, N. W., and Hemley, Russell J. Mon .
"Potential high- T c superconducting lanthanum and yttrium hydrides at high pressure". United States. https://doi.org/10.1073/pnas.1704505114.
@article{osti_1367773,
title = {Potential high- T c superconducting lanthanum and yttrium hydrides at high pressure},
author = {Liu, Hanyu and Naumov, Ivan I. and Hoffmann, Roald and Ashcroft, N. W. and Hemley, Russell J.},
abstractNote = {In this paper, 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. Finally, the study suggests that dense hydrides consisting of these and related hydrogen polyhedral networks may represent new classes of potential very high-temperature superconductors.},
doi = {10.1073/pnas.1704505114},
journal = {Proceedings of the National Academy of Sciences of the United States of America},
number = 27,
volume = 114,
place = {United States},
year = {Mon Jun 19 00:00:00 EDT 2017},
month = {Mon Jun 19 00:00:00 EDT 2017}
}
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https://doi.org/10.1073/pnas.1704505114
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