Identifying defect-tolerant semiconductors with high minority carrier lifetimes: Beyond hybrid lead halide perovskites

摘要

The emergence of methyl-ammonium lead halide (MAPbX3) perovskites motivatesthe identification of unique properties giving rise to exceptional bulktransport properties, and identifying future materials with similar properties.Here, we propose that this "defect tolerance" emerges from fundamentalelectronic structure properties, including the orbital character of theconduction and valence band extrema, the effective masses, and the staticdielectric constant. We use MaterialsProject.org searches and detailedelectronic-structure calculations to demonstrate these properties in othermaterials than MAPbX3. This framework of materials discovery may be appliedmore broadly, to accelerate discovery of new semiconductors based on emergingunderstanding of recent successes.