Inorganic Chemistry, volume 58, issue 4, pages 2558-2564
Unique Phase Diagram and Superconductivity of Calcium Hydrides at High Pressures.
Shao Ziji
1
,
Duan Defang
1
,
Ma Yanbin
2
,
Hou Yu
1
,
Song Hao
1
,
Xie Hui
1
,
Li Da
1
,
Tian Fubo
1
,
Liu Bingbing
1
,
Cui Tian
1
Publication type: Journal Article
Publication date: 2019-02-07
Journal:
Inorganic Chemistry
Quartile SCImago
Q1
Quartile WOS
Q1
Impact factor: 4.6
ISSN: 00201669, 1520510X
Inorganic Chemistry
Physical and Theoretical Chemistry
Abstract
Structure prediction studies on Ca-H binary systems under high pressures were carried out, and the structures of calcium hydrides in earlier works were reproduced. The previously unreported composition of CaH9 was found to be stable and experienced the phase transition series Cm → P21/ m → C2/ m from 100 to 400 GPa. To the best of our knowledge, CaH9 may be the only alkaline earth hydride with an odd H content. At 400 GPa, the metastable R3̅ m-CaH10 phase shares the same space group with the R3̅ m-SrH10 phase with puckered honeycomb H layers. The C2/ m phase of CaH9 and the R3̅ m phase of CaH10 are excellent superconductors with Tc values of about 240-266 and 157-175 K at 300 and 400 GPa, respectively. The high contributions of H-derived states at the Fermi level play an important role in the superconductivity of calcium hydrides.
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1 publication, 3.13%
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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.
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Shao Z. et al. Unique Phase Diagram and Superconductivity of Calcium Hydrides at High Pressures. // Inorganic Chemistry. 2019. Vol. 58. No. 4. pp. 2558-2564.
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Shao Z., Duan D., Ma Y., Hou Yu., Song H., Xie H., Li D., Tian F., Liu B., Cui T. Unique Phase Diagram and Superconductivity of Calcium Hydrides at High Pressures. // Inorganic Chemistry. 2019. Vol. 58. No. 4. pp. 2558-2564.
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TY - JOUR
DO - 10.1021/acs.inorgchem.8b03165
UR - https://doi.org/10.1021%2Facs.inorgchem.8b03165
TI - Unique Phase Diagram and Superconductivity of Calcium Hydrides at High Pressures.
T2 - Inorganic Chemistry
AU - Shao, Ziji
AU - Ma, Yanbin
AU - Li, Da
AU - Cui, Tian
AU - Duan, Defang
AU - Hou, Yu
AU - Song, Hao
AU - Xie, Hui
AU - Tian, Fubo
AU - Liu, Bingbing
PY - 2019
DA - 2019/02/07 00:00:00
PB - American Chemical Society (ACS)
SP - 2558-2564
IS - 4
VL - 58
SN - 0020-1669
SN - 1520-510X
ER -
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@article{2019_Shao,
author = {Ziji Shao and Yanbin Ma and Da Li and Tian Cui and Defang Duan and Yu Hou and Hao Song and Hui Xie and Fubo Tian and Bingbing Liu},
title = {Unique Phase Diagram and Superconductivity of Calcium Hydrides at High Pressures.},
journal = {Inorganic Chemistry},
year = {2019},
volume = {58},
publisher = {American Chemical Society (ACS)},
month = {feb},
url = {https://doi.org/10.1021%2Facs.inorgchem.8b03165},
number = {4},
pages = {2558--2564},
doi = {10.1021/acs.inorgchem.8b03165}
}
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Shao, Ziji, et al. “Unique Phase Diagram and Superconductivity of Calcium Hydrides at High Pressures..” Inorganic Chemistry, vol. 58, no. 4, Feb. 2019, pp. 2558-2564. https://doi.org/10.1021%2Facs.inorgchem.8b03165.
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