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

	Pressure-induced superconductivity in H-2-containing hydride PbH4(H-2)(2)
	Ya Cheng; Chao Zhang; Tingting Wang; Guohua Zhong; Chunlei Yang; Xiao-Jia Chen; Hai-Qing Lin
刊名	Scientific Reports
	2015
英文摘要	High pressure structure, stability, metallization, and superconductivity of PbH4(H-2)(2), a H-2-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(H-2)(2) is metastable and easily decompose at low pressure. The decomposition pressure point of 133 GPa is predicted above which PbH4(H-2)(2) is stable both thermodynamically and dynamically with the C2/m symmetry. Interestedly, all hydrogen atoms pairwise couple into H-2 quasi-molecules and remain this style up to 400 GPa in the C2/m structure. At high-pressure, PbH4(H-2)(2) tends to form the Pb-H-2 alloy. The superconductivity of T-c firstly rising and then falling is observed in the C2/m PbH4(H-2)(2). The maximum of Tc is about 107 K at 230 GPa. The softening of intermediate-frequency phonon induced by more inserted H-2 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.
收录类别	SCI
原文出处	http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4642309/
语种	英语
内容类型	期刊论文
源URL	[http://ir.siat.ac.cn:8080/handle/172644/6580]
专题	深圳先进技术研究院_集成所
作者单位	Scientific Reports
推荐引用方式 GB/T 7714	Ya Cheng,Chao Zhang,Tingting Wang,et al. Pressure-induced superconductivity in H-2-containing hydride PbH4(H-2)(2)[J]. Scientific Reports,2015.
APA	Ya Cheng.,Chao Zhang.,Tingting Wang.,Guohua Zhong.,Chunlei Yang.,...&Hai-Qing Lin.(2015).Pressure-induced superconductivity in H-2-containing hydride PbH4(H-2)(2).Scientific Reports.
MLA	Ya Cheng,et al."Pressure-induced superconductivity in H-2-containing hydride PbH4(H-2)(2)".Scientific Reports (2015).