A novel stable hydrogen-rich SnH8 under high pressure

Huadi Zhang; Xilian Jin; Yunzhou Lv; Quan Zhuang; Yunxian Liu; Qianqian Lv; Da Li; Kuo Bao; Bingbing Liu; Tian Cui

doi:10.1039/C5RA20428C

A novel stable hydrogen-rich SnH₈ under high pressure

Huadi Zhang,^a Xilian Jin,^a Yunzhou Lv,^a Quan Zhuang,^a Yunxian Liu,^a Qianqian Lv,^a Da Li,

^a Kuo Bao,^a Bingbing Liu^a and Tian Cui*^a

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* Corresponding authors

^a State Key Laboratory of Superhard Materials, College of Physics, Jilin University, Changchun, P. R. China
E-mail: cuitian@jlu.edu.cn

Abstract

A first-principles calculation is applied to perform a comprehensive study of the Sn–H system. Besides the common tetravalent hydride, a novel SnH₈ crystal with the space group I [4 with combining macron] m2 is reported with the most dominant enthalpy from structure searching techniques. All the H atoms of SnH₈ are in the form of H₂ or H₃ units with electrons localized around them, showing covalent bond character. The rich and multiple Fermi surface distribution displays a metallic feature. Further electron–phonon coupling calculations reveal the high T_c of 63–72 K at 250 GPa.

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A novel stable hydrogen-rich SnH₈ under high pressure

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A novel stable hydrogen-rich SnH₈ under high pressure

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