Driving factor of neon reaction with ionic compounds at high pressure
First-principle-study reveals stability or metastability of neon reactivity with ionic compounds at high pressure.The stability-driven factor is reduction of long-range Coulomb energy of the lattice.To verify this conclusion,neon was mixed with sodium oxide,sodium sulfide,or with potassium oxide and potassium sulfide,respectively,at high pressure.The resulting structures formed in a certain pressure range were found to be stable or metastable through numerical calculations and analysis.The source of stability of neon-containing compounds is summarized.This is of great significance in exploring the properties of neon at high pressures.
neonhigh pressurefirst principlesionic crystallong-range electrostatic energy
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