Pressure-Driven Ne-Bearing Polynitrides with Ultrahigh Energy Density

Neon（Ne） can reveal the evolution of planets,and nitrogen（N） is the most abundant element in the Earth’s atmosphere.Considering the inertness of neon,whether nitrogen and neon can react has aroused great interest in condensed matter physics and space science.Here,we identify three new Ne-N compounds(i.e.,NeN₆,NeN₁₀,and NeN₂₂) under pressure by first-principles calculations.We find that inserting Ne into N₂ substantially decreases the polymeric pressure...