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Ab Initio Investigations on the Electronic Properties and Stability of Cu-Substituted Lead Apatite (Lk-99) Family with Different Doping Concentrations (X=0, 1, 2)
The pursuit of room-temperature ambient-pressure superconductivity in novel materials has sparked interest, with recent reports suggesting such properties in Cu-substituted lead apatite, known as LK-99. However, these claims lack comprehensive experimental and theoretical support. In this study, we address this gap by conducting ab initio calculations to explore the impact …