Metal-Halide Perovskite Design for Next-Generation Memories: First-Principles Screening and Experimental Verification

摘要: Memory devices have been advanced so much, but still it is highly required to find stable and reliable materials with low-power consumption. Halide perovskites (HPs) recently adopted for memory application since they advantages of fast switching based on ionic motion in crystal structure. However, HPs also suffer from poor stability, necessary improve the stability HPs. In this regard, combined first-principles screening experimental verification are performed design that high environmental low-operating voltage devices. First-principles identifies 2D layered AB2X5 structure as best candidate layer devices, because has lower formation energy defect than 3D ABX3 or other structures (A3B2X7, A2BX4). To verify results, all-inorganic CsPb2Br5 synthesized used The use show much better operating voltages CsPbBr3. These findings expected provide new opportunity device applications calculation, screening, verification.