A Stable Compound of Helium and Sodium at High Pressure

Overview

Journal Nat Chem

Specialty Chemistry

Date 2017 Apr 22

PMID 28430195

Citations 44

Authors

Xiao Dong

Artem R Oganov

Alexander F Goncharov

Elissaios Stavrou

Sergey Lobanov

Gabriele Saleh

Guang-Rui Qian

Qiang Zhu

Carlo Gatti

Volker L Deringer

Richard Dronskowski

Xiang-Feng Zhou

Vitali B Prakapenka

Zuzana Konopkova

Ivan A Popov

Alexander I Boldyrev

Hui-Tian Wang

Affiliations

Soon will be listed here.

Abstract

Helium is generally understood to be chemically inert and this is due to its extremely stable closed-shell electronic configuration, zero electron affinity and an unsurpassed ionization potential. It is not known to form thermodynamically stable compounds, except a few inclusion compounds. Here, using the ab initio evolutionary algorithm USPEX and subsequent high-pressure synthesis in a diamond anvil cell, we report the discovery of a thermodynamically stable compound of helium and sodium, NaHe, which has a fluorite-type structure and is stable at pressures >113 GPa. We show that the presence of He atoms causes strong electron localization and makes this material insulating. This phase is an electride, with electron pairs localized in interstices, forming eight-centre two-electron bonds within empty Na cubes. We also predict the existence of NaHeO with a similar structure at pressures above 15 GPa.

Citing Articles

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