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

Liu, Hanyu; Naumov, Ivan I.; Hoffmann, Roald; Ashcroft, N. W.; Hemley, Russell J.

doi:10.1073/pnas.1704505114

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

Journal Article · Mon Jun 19 00:00:00 EDT 2017 · Proceedings of the National Academy of Sciences of the United States of America

DOI:https://doi.org/10.1073/pnas.1704505114· OSTI ID:1367773

Liu, Hanyu ^[1]; Naumov, Ivan I. ^[1]; Hoffmann, Roald ^[2]; Ashcroft, N. W. ^[3]; Hemley, Russell J. ^[4]

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

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.

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Research Organization:: Carnegie Inst. of Washington, Washington, DC (United States); Energy Frontier Research Centers (EFRC) (United States). Energy Frontier Research in Extreme Environments (EFree)

Sponsoring Organization:: USDOE; USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: NA0002006; SC0001057

OSTI ID:: 1367773

Alternate ID(s):: OSTI ID: 1465964

Journal Information:: Proceedings of the National Academy of Sciences of the United States of America, Journal Name: Proceedings of the National Academy of Sciences of the United States of America Journal Issue: 27 Vol. 114; ISSN 0027-8424

Publisher:: Proceedings of the National Academy of SciencesCopyright Statement

Country of Publication:: United States

Language:: English

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