Physical Review B, volume 99, issue 22, publication number 224504
Synthesis and stability of tantalum hydride at high pressures
Ying Jianjun
1, 2, 3
,
Li Xue
4
,
Li Xue
4
,
Greenberg E.
5
,
Greenberg Eran
5
,
Prakapenka V.
5
,
Prakapenka Vitali B.
5
,
Liu Hanyu
4
,
Struzhkin Viktor V
2
,
Struzhkin Viktor V.
2
1
Department of Physics, and CAS Key Laboratory of Strongly-coupled Quantum Matter Physics, University of Science and Technology of China, Hefei, Anhui 230026, China
|
2
Geophysical Laboratory, Carnegie Institution of Washington, Washington, DC 20015, USA
|
3
HPCAT, Geophysical Laboratory, Carnegie Institution of Washington, Argonne, Illinois 60439, USA
|
5
Center for Advanced Radiation Sources, The University of Chicago, 5640 South Ellis Avenue, Chicago, Illinois 60637, USA
|
Publication type: Journal Article
Publication date: 2019-06-11
Journal:
Physical Review B
Quartile SCImago
Q1
Quartile WOS
Q2
Impact factor: 3.7
ISSN: 24699950, 24699969, 10980121, 1550235X
Abstract
Although many metal hydrides were predicted by theory, very few of those were so far realized in experiment. Here, we systematically investigated the Ta-H system below 85 GPa, and found that the hexagonal close-packed $\mathrm{Ta}{\mathrm{H}}_{\ensuremath{\sim}2}$ can be gradually transformed into $\mathrm{Ta}{\mathrm{H}}_{\ensuremath{\sim}3}$ above 60 GPa at room temperature. With the help of density-functional theory calculations, the space group of $\mathrm{Ta}{\mathrm{H}}_{\ensuremath{\sim}3}$ can be determined as a $I\overline{4}3d$ phase, which is isostructural to the Domeykite mineral. Such structure is rather rare and was not predicted in the earlier theoretical works due to the large unit cell. We also tried laser heating at high pressures and found that temperature plays a key role in tuning the $\mathrm{Ta}{\mathrm{H}}_{\ensuremath{\sim}3}$ phase to $\mathrm{Ta}{\mathrm{H}}_{\ensuremath{\sim}2}$ phase; however, no other new tantalum hydrides were synthesized. During decompression, the $\mathrm{Ta}{\mathrm{H}}_{\ensuremath{\sim}3}$ was completely decomposed to the $\mathrm{Ta}{\mathrm{H}}_{\ensuremath{\sim}2}$ below 30 GPa. Further experiments are still required for the synthesis of other tantalum polyhydrides at a higher pressure range and for the comparison with the theoretical calculations.
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Citations by publishers
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1 publication, 5%
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1
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- We do not take into account publications that without a DOI.
- Statistics recalculated only for publications connected to researchers, organizations and labs registered on the platform.
- Statistics recalculated weekly.
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Ying J. et al. Synthesis and stability of tantalum hydride at high pressures // Physical Review B. 2019. Vol. 99. No. 22. 224504
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Ying J., Li X., Li X., Greenberg E., Greenberg E., Prakapenka V. B., Prakapenka V., Liu H., Struzhkin V. V., Struzhkin V. V. Synthesis and stability of tantalum hydride at high pressures // Physical Review B. 2019. Vol. 99. No. 22. 224504
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TY - JOUR
DO - 10.1103/PhysRevB.99.224504
UR - https://doi.org/10.1103%2FPhysRevB.99.224504
TI - Synthesis and stability of tantalum hydride at high pressures
T2 - Physical Review B
AU - Ying, Jianjun
AU - Li, Xue
AU - Greenberg, Eran
AU - Prakapenka, Vitali B.
AU - Liu, Hanyu
AU - Struzhkin, Viktor V
AU - Li, Xue
AU - Greenberg, E.
AU - Prakapenka, V.
AU - Struzhkin, Viktor V.
PY - 2019
DA - 2019/06/11 00:00:00
PB - American Physical Society (APS)
IS - 22
VL - 99
SN - 2469-9950
SN - 2469-9969
SN - 1098-0121
SN - 1550-235X
ER -
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@article{2019_Ying,
author = {Jianjun Ying and Xue Li and Eran Greenberg and Vitali B. Prakapenka and Hanyu Liu and Viktor V Struzhkin and Xue Li and E. Greenberg and V. Prakapenka and Viktor V. Struzhkin},
title = {Synthesis and stability of tantalum hydride at high pressures},
journal = {Physical Review B},
year = {2019},
volume = {99},
publisher = {American Physical Society (APS)},
month = {jun},
url = {https://doi.org/10.1103%2FPhysRevB.99.224504},
number = {22},
doi = {10.1103/PhysRevB.99.224504}
}