Unique Phase Diagram and Superconductivity of Calcium Hydrides at High Pressures.
Ziji Shao
1
,
Defang Duan
1
,
Yanbin Ma
2
,
Yu Hou
1
,
Hao Song
1
,
Hui Xie
1
,
Da Li
1
,
Fubo Tian
1
,
Bingbing Liu
1
,
Tian Cui
1
Publication type: Journal Article
Publication date: 2019-02-07
scimago Q1
wos Q1
SJR: 0.958
CiteScore: 7.4
Impact factor: 4.7
ISSN: 00201669, 1520510X
PubMed ID:
30730136
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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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.
Cite this
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Copy
TY - JOUR
DO - 10.1021/acs.inorgchem.8b03165
UR - https://doi.org/10.1021/acs.inorgchem.8b03165
TI - Unique Phase Diagram and Superconductivity of Calcium Hydrides at High Pressures.
T2 - Inorganic Chemistry
AU - Shao, Ziji
AU - Duan, Defang
AU - Ma, Yanbin
AU - Hou, Yu
AU - Song, Hao
AU - Xie, Hui
AU - Li, Da
AU - Tian, Fubo
AU - Liu, Bingbing
AU - Cui, Tian
PY - 2019
DA - 2019/02/07
PB - American Chemical Society (ACS)
SP - 2558-2564
IS - 4
VL - 58
PMID - 30730136
SN - 0020-1669
SN - 1520-510X
ER -
Cite this
BibTex (up to 50 authors)
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@article{2019_Shao,
author = {Ziji Shao and Defang Duan and Yanbin Ma and Yu Hou and Hao Song and Hui Xie and Da Li and Fubo Tian and Bingbing Liu and Tian Cui},
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/acs.inorgchem.8b03165},
number = {4},
pages = {2558--2564},
doi = {10.1021/acs.inorgchem.8b03165}
}
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MLA
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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/acs.inorgchem.8b03165.
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