Mixed-halide perovskite alloys $\text{CsPb}({\text{I}}_{1-x}^{}{\text{Br}}_x^{}{)}_3^{}$ and $\text{CsPb}({\text{Br}}_{1-x}^{}{\text{Cl}}_x^{}{)}_3^{}$: New insight of configuration entropy effect from first principles and phase diagrams

Fang Pan, Junni Zhai, Jinyu Chen +8

Stability is one of the key issues in mixed-halide perovskite alloys which are promising in emergent optoelectronics. Previous density-functional-theory (DFT) and machine learning…