English

Superionic State Discovered in Ternary Hypervalent Silicon Hydrides via Sodium inside the Earth

Materials Science 2020-11-24 v1 Geophysics

Abstract

Superionic states are phases of matters that can simultaneously exhibit some of the properties of a fluid and of a solid. Superionic states of ice, H3_{3}O, He-H2_{2}O or He-NH3_{3} compounds have been reported in previous works. Silicon, sodium, and hydrogen are abundant elements inside the earth. Here, we use ab initio calculations to show that, at extreme conditions inside the earth, Na, Si, and H can form many hypervalent compounds that some of them can exist every close to ambient pressure, and surprisingly a previously unknown type of superionic state of P3m1P\overline3m1 - Na2_{2}SiH6_{6} can form as well. Our work focused on new superionic state of Na2_{2}SiH6_{6}, and the results also reveal several different hypervalent Si-H anions discovered, which are different from individual SiH5_{5}^{\,-} and octahedral SiH62_{6}^{\,2-} in previous research of ternary alkali hypervalent silicon hydrides. Our work provides some advice on further investigations on potential ternary hydrides inside the earth.

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Cite

@article{arxiv.2011.11429,
  title  = {Superionic State Discovered in Ternary Hypervalent Silicon Hydrides via Sodium inside the Earth},
  author = {Tianxiao Liang and Zihan Zhang and Hongyu Yu and Tian Cui and Chris J. Pickard and Defang Duan},
  journal= {arXiv preprint arXiv:2011.11429},
  year   = {2020}
}
R2 v1 2026-06-23T20:26:44.146Z