High‐Pressure Stability and Electronic Properties of Sodium‐Rich Nitrides: Insights from First‐Principles Calculations
Sign Up to like & getrecommendations! Published in 2025 at "Chemphyschem"
DOI: 10.1002/cphc.202401150
Abstract: Abstract Using first‐principles structure search calculations, we investigated the phase stability of sodium‐nitrogen (Na−N) compounds under high pressure. Our study reveals that increasing pressure promotes the formation of Na‐rich nitrides, leading to the prediction of… read more here.
Keywords: pressure; stability; rich nitrides; first principles ... See more keywords