Open Access
Scientific Reports, volume 10, issue 1, publication number 16878
Origin of enhanced chemical precompression in cerium hydride [Formula: see text].
1
Department of Physics, Research Institute for Natural Science, and Institute for High Pressure at Hanyang University, Hanyang University, Seoul, Republic of Korea
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Publication type: Journal Article
Publication date: 2020-10-09
PubMed ID:
33037271
Multidisciplinary
Abstract
The rare-earth metal hydrides with clathrate structures have been highly attractive because of their promising high-[Formula: see text] superconductivity at high pressure. Recently, cerium hydride [Formula: see text] composed of Ce-encapsulated clathrate H cages was synthesized at much lower pressures of 80-100 GPa, compared to other experimentally synthesized rare-earth hydrides such as [Formula: see text] and [Formula: see text]. Based on density-functional theory calculations, we find that the Ce 5p semicore and 4f/5d valence states strongly hybridize with the H 1s state, while a transfer of electrons occurs from Ce to H atoms. Further, we reveal that the delocalized nature of Ce 4f electrons plays an important role in the chemical precompression of clathrate H cages. Our findings not only suggest that the bonding nature between the Ce atoms and H cages is characterized as a mixture of ionic and covalent, but also have important implications for understanding the origin of enhanced chemical precompression that results in the lower pressures required for the synthesis of [Formula: see text].
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Jeon H. et al. Origin of enhanced chemical precompression in cerium hydride [Formula: see text]. // Scientific Reports. 2020. Vol. 10. No. 1. 16878
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Jeon H., Wang C., Yi S., Cho J. Origin of enhanced chemical precompression in cerium hydride [Formula: see text]. // Scientific Reports. 2020. Vol. 10. No. 1. 16878
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TY - JOUR
DO - 10.1038/s41598-020-73665-1
UR - https://doi.org/10.1038%2Fs41598-020-73665-1
TI - Origin of enhanced chemical precompression in cerium hydride [Formula: see text].
T2 - Scientific Reports
AU - Jeon, Hyunsoo
AU - Wang, Chongze
AU - Yi, Seho
AU - Cho, Jun-Hyung
PY - 2020
DA - 2020/10/09 00:00:00
PB - Springer Nature
IS - 1
VL - 10
PMID - 33037271
SN - 2045-2322
ER -
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@article{2020_Jeon,
author = {Hyunsoo Jeon and Chongze Wang and Seho Yi and Jun-Hyung Cho},
title = {Origin of enhanced chemical precompression in cerium hydride [Formula: see text].},
journal = {Scientific Reports},
year = {2020},
volume = {10},
publisher = {Springer Nature},
month = {oct},
url = {https://doi.org/10.1038%2Fs41598-020-73665-1},
number = {1},
doi = {10.1038/s41598-020-73665-1}
}