Pressure-induced superconductivity in H2-containing hydride PbH4(H2)2

Ya Cheng; Chao Zhang; Tingting Wang; Guohua Zhong; Chunlei Yang; Xiao Jia Chen; Hai Qing Lin

doi:10.1038/srep16475

Pressure-induced superconductivity in H₂-containing hydride PbH₄(H₂)₂

Ya Cheng
, Chao Zhang
, Tingting Wang
, Guohua Zhong^*
, Chunlei Yang
, Xiao Jia Chen
, Hai Qing Lin

^*Corresponding author for this work

The Chinese University of Hong Kong, Shenzhen
Yantai University
Center for High Pressure Science & Technology Advanced Research
China Academy of Engineering Physics

Research output: Contribution to journal › Article › peer-review

39 Scopus citations

Abstract

High pressure structure, stability, metallization, and superconductivity of PbH₄(H₂)₂, a H₂-containing compound combining one of the heaviest elements with the lightest element, are investigated by the first-principles calculations. The metallic character is found over the whole studied pressure range, although PbH₄(H₂)₂ is metastable and easily decompose at low pressure. The decomposition pressure point of 133GPa is predicted above which PbH₄(H₂)₂ is stable both thermodynamically and dynamically with the C2/m symmetry. Interestedly, all hydrogen atoms pairwise couple into H₂ quasi-molecules and remain this style up to 400GPa in the C2/m structure. At high-pressure, PbH₄(H₂)₂ tends to form the Pb-H₂ alloy. The superconductivity of T_c firstly rising and then falling is observed in the C2/m PbH₄(H₂)₂. The maximum of T_c is about 107K at 230GPa. The softening of intermediate-frequency phonon induced by more inserted H₂ molecules is the main origin of the high T_c. The results obtained represent a significant step toward the understanding of the high pressure behavior of metallic hydrogen and hydrogen-rich materials, which is helpful for obtaining the higher T_c.

Original language	English
Article number	16475
Journal	Scientific Reports
Volume	5
DOIs	https://doi.org/10.1038/srep16475
State	Published - Nov 2015
Externally published	Yes

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title = "Pressure-induced superconductivity in H2-containing hydride PbH4(H2)2 ",

abstract = "High pressure structure, stability, metallization, and superconductivity of PbH4(H2)2, a H2-containing compound combining one of the heaviest elements with the lightest element, are investigated by the first-principles calculations. The metallic character is found over the whole studied pressure range, although PbH4(H2)2 is metastable and easily decompose at low pressure. The decomposition pressure point of 133GPa is predicted above which PbH4(H2)2 is stable both thermodynamically and dynamically with the C2/m symmetry. Interestedly, all hydrogen atoms pairwise couple into H2 quasi-molecules and remain this style up to 400GPa in the C2/m structure. At high-pressure, PbH4(H2)2 tends to form the Pb-H2 alloy. The superconductivity of Tc firstly rising and then falling is observed in the C2/m PbH4(H2)2. The maximum of Tc is about 107K at 230GPa. The softening of intermediate-frequency phonon induced by more inserted H2 molecules is the main origin of the high Tc. The results obtained represent a significant step toward the understanding of the high pressure behavior of metallic hydrogen and hydrogen-rich materials, which is helpful for obtaining the higher Tc.",

author = "Ya Cheng and Chao Zhang and Tingting Wang and Guohua Zhong and Chunlei Yang and Chen, \{Xiao Jia\} and Lin, \{Hai Qing\}",

year = "2015",

month = nov,

doi = "10.1038/srep16475",

language = "英语",

volume = "5",

journal = "Scientific Reports",

issn = "2045-2322",

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TY - JOUR

T1 - Pressure-induced superconductivity in H2-containing hydride PbH4(H2)2

AU - Cheng, Ya

AU - Zhang, Chao

AU - Wang, Tingting

AU - Zhong, Guohua

AU - Yang, Chunlei

AU - Chen, Xiao Jia

AU - Lin, Hai Qing

PY - 2015/11

Y1 - 2015/11

N2 - High pressure structure, stability, metallization, and superconductivity of PbH4(H2)2, a H2-containing compound combining one of the heaviest elements with the lightest element, are investigated by the first-principles calculations. The metallic character is found over the whole studied pressure range, although PbH4(H2)2 is metastable and easily decompose at low pressure. The decomposition pressure point of 133GPa is predicted above which PbH4(H2)2 is stable both thermodynamically and dynamically with the C2/m symmetry. Interestedly, all hydrogen atoms pairwise couple into H2 quasi-molecules and remain this style up to 400GPa in the C2/m structure. At high-pressure, PbH4(H2)2 tends to form the Pb-H2 alloy. The superconductivity of Tc firstly rising and then falling is observed in the C2/m PbH4(H2)2. The maximum of Tc is about 107K at 230GPa. The softening of intermediate-frequency phonon induced by more inserted H2 molecules is the main origin of the high Tc. The results obtained represent a significant step toward the understanding of the high pressure behavior of metallic hydrogen and hydrogen-rich materials, which is helpful for obtaining the higher Tc.

AB - High pressure structure, stability, metallization, and superconductivity of PbH4(H2)2, a H2-containing compound combining one of the heaviest elements with the lightest element, are investigated by the first-principles calculations. The metallic character is found over the whole studied pressure range, although PbH4(H2)2 is metastable and easily decompose at low pressure. The decomposition pressure point of 133GPa is predicted above which PbH4(H2)2 is stable both thermodynamically and dynamically with the C2/m symmetry. Interestedly, all hydrogen atoms pairwise couple into H2 quasi-molecules and remain this style up to 400GPa in the C2/m structure. At high-pressure, PbH4(H2)2 tends to form the Pb-H2 alloy. The superconductivity of Tc firstly rising and then falling is observed in the C2/m PbH4(H2)2. The maximum of Tc is about 107K at 230GPa. The softening of intermediate-frequency phonon induced by more inserted H2 molecules is the main origin of the high Tc. The results obtained represent a significant step toward the understanding of the high pressure behavior of metallic hydrogen and hydrogen-rich materials, which is helpful for obtaining the higher Tc.

UR - https://www.scopus.com/pages/publications/84947475025

U2 - 10.1038/srep16475

DO - 10.1038/srep16475

M3 - 文章

AN - SCOPUS:84947475025

SN - 2045-2322

VL - 5

JO - Scientific Reports

JF - Scientific Reports

M1 - 16475

ER -

Pressure-induced superconductivity in H₂-containing hydride PbH₄(H₂)₂

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