Physical Review B, volume 104, issue 2, publication number L020511

LaBH8 : Towards high- Tc low-pressure superconductivity in ternary superhydrides

Heil C. 1
Von Der Linden Wolfgang 1
Boeri L. 2
BOERI LILIA 2
1
 
Institute of Theoretical and Computational Physics, Graz University of Technology, NAWI Graz, 8010 Graz, Austria
Publication typeJournal Article
Publication date2021-07-29
Quartile SCImago
Q1
Quartile WOS
Q2
Impact factor3.7
ISSN24699950, 24699969, 10980121, 1550235X
Abstract
In the last five years a large number of new high-temperature superconductors have been predicted and experimentally discovered among hydrogen-rich crystals, at pressures, which are way too high to meet any practical application. In this paper, we report the computational prediction of a hydride superconductor, $\mathrm{La}{\mathrm{BH}}_{8}$, with a ${T}_{\text{c}}$ of 126 K at a pressure of 50 GPa, thermodynamically stable above 100 GPa, and dynamically stable down to 40 GPa, an unprecedentedly low pressure for high-${T}_{\text{c}}$ hydrides. $\mathrm{La}{\mathrm{BH}}_{8}$ can be seen as a ternary sodalite-like hydride, in which a metallic hydrogen sublattice is stabilized by the chemical pressure exerted by the La-B scaffolding, which achieves a more efficient packing of atoms than in binary sodalite hydrides thanks to the combination of elements with very different sizes. The proposed aufbau principle may be exploited to design high-${T}_{\text{c}}$ hydrides that survive at even lower pressure, through a careful choice of the elements.

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Di Cataldo S. et al. LaBH8 : Towards high- Tc low-pressure superconductivity in ternary superhydrides // Physical Review B. 2021. Vol. 104. No. 2. L020511
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Di Cataldo S., Heil C., Von Der Linden W., BOERI L., Boeri L. LaBH8 : Towards high- Tc low-pressure superconductivity in ternary superhydrides // Physical Review B. 2021. Vol. 104. No. 2. L020511
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TY - JOUR
DO - 10.1103/PhysRevB.104.L020511
UR - https://doi.org/10.1103%2FPhysRevB.104.L020511
TI - LaBH8 : Towards high- Tc low-pressure superconductivity in ternary superhydrides
T2 - Physical Review B
AU - Di Cataldo, Simone
AU - Heil, C.
AU - Von Der Linden, Wolfgang
AU - BOERI, LILIA
AU - Boeri, L.
PY - 2021
DA - 2021/07/29 00:00:00
PB - American Physical Society (APS)
IS - 2
VL - 104
SN - 2469-9950
SN - 2469-9969
SN - 1098-0121
SN - 1550-235X
ER -
BibTex
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BibTex Copy
@article{2021_Di Cataldo
author = {Simone Di Cataldo and C. Heil and Wolfgang Von Der Linden and LILIA BOERI and L. Boeri},
title = {LaBH8 : Towards high- Tc low-pressure superconductivity in ternary superhydrides},
journal = {Physical Review B},
year = {2021},
volume = {104},
publisher = {American Physical Society (APS)},
month = {jul},
url = {https://doi.org/10.1103%2FPhysRevB.104.L020511},
number = {2},
doi = {10.1103/PhysRevB.104.L020511}
}
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