Pressure induced metallization of SiH4(H2)2 via first-principles calculations

Wei, Yong Kai; Ge, Ni Na; Ji, Guang Fu; Chen, Xiangrong; Cai, Ling; Wei, Dong

doi:10.1016/j.commatsci.2014.02.045

Cited by 5 publications

(2 citation statements)

References 56 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…However, it was reported that the hydrogen-rich materials is easily decomposed1011151617222324253132. Hence, we must check the stability by mean of estimating the decomposition enthalpy.…”

Section: Resultsmentioning

confidence: 99%

See 1 more Smart Citation

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

Cheng

Zhang

Wang

et al. 2015

Sci Rep

View full text Add to dashboard Cite

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 133 GPa 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 400 GPa 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 107 K at 230 GPa. 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.

show abstract

“…However, it was reported that the hydrogen-rich materials is easily decomposed1011151617222324253132. Hence, we must check the stability by mean of estimating the decomposition enthalpy.…”

Section: Resultsmentioning

confidence: 99%

“…But both metallization and superconductivity are still lack. For the SiH 4 -H 2 system, the crystal structure, phase diagram, and metallization under pressure of SiH 4 (H 2 ) 2 were extensively explored141516171819202122. The T c of SiH 4 (H 2 ) 2 is as high as 107 K at 250 GPa23, which is visibly higher than that of SiH 4 .…”

mentioning

confidence: 99%