Skip to main content

Lund University Publications

LUND UNIVERSITY LIBRARIES

Local electronic structure rearrangements and strong anharmonicity in YH3 under pressures up to 180 GPa

Purans, J. ; Menushenkov, A. P. ; Besedin, S. P. ; Ivanov, A. A. ; Minkov, V. S. ; Pudza, I. ; Kuzmin, A. ; Klementiev, K. V. LU ; Pascarelli, S. and Mathon, O. , et al. (2021) In Nature Communications 12(1).
Abstract

The discovery of superconductivity above 250 K at high pressure in LaH10 and the prediction of overcoming the room temperature threshold for superconductivity in YH10 urge for a better understanding of hydrogen interaction mechanisms with the heavy atom sublattice in metal hydrides under high pressure at the atomic scale. Here we use locally sensitive X-ray absorption fine structure spectroscopy (XAFS) to get insight into the nature of phase transitions and the rearrangements of local electronic and crystal structure in archetypal metal hydride YH3 under pressure up to 180 GPa. The combination of the experimental methods allowed us to implement a multiscale length study of YH3: XAFS... (More)

The discovery of superconductivity above 250 K at high pressure in LaH10 and the prediction of overcoming the room temperature threshold for superconductivity in YH10 urge for a better understanding of hydrogen interaction mechanisms with the heavy atom sublattice in metal hydrides under high pressure at the atomic scale. Here we use locally sensitive X-ray absorption fine structure spectroscopy (XAFS) to get insight into the nature of phase transitions and the rearrangements of local electronic and crystal structure in archetypal metal hydride YH3 under pressure up to 180 GPa. The combination of the experimental methods allowed us to implement a multiscale length study of YH3: XAFS (short-range), Raman scattering (medium-range) and XRD (long-range). XANES data evidence a strong effect of hydrogen on the density of 4d yttrium states that increases with pressure and EXAFS data evidence a strong anharmonicity, manifested as yttrium atom vibrations in a double-well potential.

(Less)
Please use this url to cite or link to this publication:
author
; ; ; ; ; ; ; ; and , et al. (More)
; ; ; ; ; ; ; ; ; ; ; and (Less)
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Nature Communications
volume
12
issue
1
article number
1765
publisher
Nature Publishing Group
external identifiers
  • pmid:33741970
  • scopus:85102867402
ISSN
2041-1723
DOI
10.1038/s41467-021-21991-x
language
English
LU publication?
yes
additional info
Funding Information: The authors acknowledge the ESRF program committee (Grenoble, France) for the opportunity to perform XAFS and XRD measurements. We are grateful to Prof. Dr Marek Tkacz from the Institute of Physical Chemistry, PAS Kasprzaka 44/52, 01-224 Warsaw, Poland, for high quality YH3 samples and to Dr. José A. Flores-Livas for a fruitful discussion. A.P.M. and A.A.I. acknowledge the Russian Foundation for the Basic Research (grant No 18-02-40001_mega) for financial support. J.P., A.K., and I.P. would like to thank the support of the Latvian Council of Science project No. lzp-2018/2-0353. ISSP UL acknowledge the European Union’s Horizon 2020 Framework Programme H2020-WIDESPREAD-01-20l 6-2017-TeamingPhase2, grant agreement No. 739508, project CAMART2. Publisher Copyright: © 2021, The Author(s). Copyright: Copyright 2021 Elsevier B.V., All rights reserved.
id
f2e8317a-0035-4529-9fa0-f2369b258327
date added to LUP
2021-03-30 10:33:25
date last changed
2024-05-04 04:54:29
@article{f2e8317a-0035-4529-9fa0-f2369b258327,
  abstract     = {{<p>The discovery of superconductivity above 250 K at high pressure in LaH<sub>10</sub> and the prediction of overcoming the room temperature threshold for superconductivity in YH<sub>10</sub> urge for a better understanding of hydrogen interaction mechanisms with the heavy atom sublattice in metal hydrides under high pressure at the atomic scale. Here we use locally sensitive X-ray absorption fine structure spectroscopy (XAFS) to get insight into the nature of phase transitions and the rearrangements of local electronic and crystal structure in archetypal metal hydride YH<sub>3</sub> under pressure up to 180 GPa. The combination of the experimental methods allowed us to implement a multiscale length study of YH<sub>3</sub>: XAFS (short-range), Raman scattering (medium-range) and XRD (long-range). XANES data evidence a strong effect of hydrogen on the density of 4d yttrium states that increases with pressure and EXAFS data evidence a strong anharmonicity, manifested as yttrium atom vibrations in a double-well potential.</p>}},
  author       = {{Purans, J. and Menushenkov, A. P. and Besedin, S. P. and Ivanov, A. A. and Minkov, V. S. and Pudza, I. and Kuzmin, A. and Klementiev, K. V. and Pascarelli, S. and Mathon, O. and Rosa, A. D. and Irifune, T. and Eremets, M. I.}},
  issn         = {{2041-1723}},
  language     = {{eng}},
  number       = {{1}},
  publisher    = {{Nature Publishing Group}},
  series       = {{Nature Communications}},
  title        = {{Local electronic structure rearrangements and strong anharmonicity in YH<sub>3</sub> under pressures up to 180 GPa}},
  url          = {{http://dx.doi.org/10.1038/s41467-021-21991-x}},
  doi          = {{10.1038/s41467-021-21991-x}},
  volume       = {{12}},
  year         = {{2021}},
}