Nature, volume 578, issue 7793, pages 66-69
Quantum crystal structure in the 250-kelvin superconducting lanthanum hydride
Errea Ion
1, 2, 3
,
Belli Francesco
1, 2
,
Monacelli Lorenzo
4
,
Sanna Antonio
5
,
Koretsune Takashi
6
,
Tadano Terumasa
7
,
Bianco Raffaello
2
,
Calandra Matteo
8
,
ARITA RYOTARO
9, 10
,
Mauri Francesco
4, 11
,
Flores Livas José A
4
1
Fisika Aplikatua 1 Saila, Gipuzkoako Ingeniaritza Eskola, University of the Basque Country (UPV/EHU), San Sebastián, Spain
|
5
Max-Planck Institute of Microstructure Physics, Halle, Germany
|
6
Department of physics, Tohoku University, Sendai, Japan
|
9
Department of applied physics, University of Tokyo, Tokyo, Japan
|
10
Riken Center for Emergent Matter Science, Wako, Japan
|
Publication type: Journal Article
Publication date: 2020-02-05
Multidisciplinary
Abstract
The discovery of superconductivity at 200 kelvin in the hydrogen sulfide system at high pressures 1 demonstrated the potential of hydrogen-rich materials as high-temperature superconductors. Recent theoretical predictions of rare-earth hydrides with hydrogen cages 2 , 3 and the subsequent synthesis of LaH 10 with a superconducting critical temperature ( T c ) of 250 kelvin 4 , 5 have placed these materials on the verge of achieving the long-standing goal of room-temperature superconductivity. Electrical and X-ray diffraction measurements have revealed a weakly pressure-dependent T c for LaH 10 between 137 and 218 gigapascals in a structure that has a face-centred cubic arrangement of lanthanum atoms 5 . Here we show that quantum atomic fluctuations stabilize a highly symmetrical $${Fm}\overline{3}{m}$$ Fm 3 ¯ m crystal structure over this pressure range. The structure is consistent with experimental findings and has a very large electron–phonon coupling constant of 3.5. Although ab initio classical calculations predict that this $${Fm}\overline{3}{m}$$ Fm 3 ¯ m structure undergoes distortion at pressures below 230 gigapascals 2 , 3 , yielding a complex energy landscape, the inclusion of quantum effects suggests that it is the true ground-state structure. The agreement between the calculated and experimental T c values further indicates that this phase is responsible for the superconductivity observed at 250 kelvin. The relevance of quantum fluctuations calls into question many of the crystal structure predictions that have been made for hydrides within a classical approach and that currently guide the experimental quest for room-temperature superconductivity 6 – 8 . Furthermore, we find that quantum effects are crucial for the stabilization of solids with high electron–phonon coupling constants that could otherwise be destabilized by the large electron–phonon interaction 9 , thus reducing the pressures required for their synthesis. Quantum atomic fluctuations have a crucial role in stabilizing the crystal structure of the high-pressure superconducting phase of lanthanum hydride.
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Errea I. et al. Quantum crystal structure in the 250-kelvin superconducting lanthanum hydride // Nature. 2020. Vol. 578. No. 7793. pp. 66-69.
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Errea I., Belli F., Monacelli L., Sanna A., Koretsune T., Tadano T., Bianco R., Calandra M., ARITA R., Mauri F., Flores Livas J. A. Quantum crystal structure in the 250-kelvin superconducting lanthanum hydride // Nature. 2020. Vol. 578. No. 7793. pp. 66-69.
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TY - JOUR
DO - 10.1038/s41586-020-1955-z
UR - https://doi.org/10.1038%2Fs41586-020-1955-z
TI - Quantum crystal structure in the 250-kelvin superconducting lanthanum hydride
T2 - Nature
AU - Errea, Ion
AU - Belli, Francesco
AU - Monacelli, Lorenzo
AU - Sanna, Antonio
AU - Koretsune, Takashi
AU - Tadano, Terumasa
AU - Bianco, Raffaello
AU - Calandra, Matteo
AU - ARITA, RYOTARO
AU - Mauri, Francesco
AU - Flores Livas, José A
PY - 2020
DA - 2020/02/05 00:00:00
PB - Springer Nature
SP - 66-69
IS - 7793
VL - 578
SN - 0028-0836
SN - 1476-4687
ER -
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@article{2020_Errea,
author = {Ion Errea and Francesco Belli and Lorenzo Monacelli and Antonio Sanna and Takashi Koretsune and Terumasa Tadano and Raffaello Bianco and Matteo Calandra and RYOTARO ARITA and Francesco Mauri and José A Flores Livas},
title = {Quantum crystal structure in the 250-kelvin superconducting lanthanum hydride},
journal = {Nature},
year = {2020},
volume = {578},
publisher = {Springer Nature},
month = {feb},
url = {https://doi.org/10.1038%2Fs41586-020-1955-z},
number = {7793},
pages = {66--69},
doi = {10.1038/s41586-020-1955-z}
}
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Errea, Ion, et al. “Quantum crystal structure in the 250-kelvin superconducting lanthanum hydride.” Nature, vol. 578, no. 7793, Feb. 2020, pp. 66-69. https://doi.org/10.1038%2Fs41586-020-1955-z.