Lithium Subhydrides under Pressure and Their Superatom-like Building Blocks

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Abstract

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Feeling the pressure: First principles calculations exploring the lithium-rich region of the lithium/hydrogen phase diagram show that the extended systems LimH (m=4–9) become stable at approximately 50 GPa. These lithium subhydrides are constructed from superalkali Li8H clusters, and are both structurally and electronically similar to the well-known alkali metal suboxides.

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