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What is Phase Stability of Copper Halide Perovskites about?

This document discusses a first-principles study on the phase stability of copper-based halide perovskite derivatives (CHPs) with formulas AlCumXn, where A is Rb or Cs, X is Cl, Br, or I, and l, m, and n are integers. The study uses density functional theory calculations to investigate the thermodynamic stability of 42 possible CHP compounds by considering all competing phases from the Inorganic Crystal Structure Database. The results agree with existing experiments and predict the stability of 10 additiona

Author

孙中体

Language

EN