Identifying Defect-Tolerant Semiconductors with High Minority-Carrier Lifetimes: Beyond Hybrid Lead Halide Perovskites

Riley E. Brandt, Vladan Stevanović, David S. Ginley, Tonio Buonassisi

Research output: Contribution to journalArticlepeer-review

644 Scopus Citations

Abstract

The emergence of methyl-ammonium lead halide (MAPbX3) perovskites motivates the identification of unique properties giving rise to exceptional bulk transport properties, and identifying future materials with similar properties. Here, we propose that this defect tolerance emerges from fundamental electronic-structure properties, including the orbital character of the conduction and valence band extrema, the charge-carrier effective masses, and the static dielectric constant. We use MaterialsProject.org searches and detailed electronic-structure calculations to demonstrate these properties in other materials than MAPbX3. This framework of materials discovery may be applied more broadly, to accelerate discovery of new semiconductors based on emerging understanding of recent successes.

Original languageAmerican English
Pages (from-to)265-275
Number of pages11
JournalMRS Communications
Volume5
Issue number2
DOIs
StatePublished - 2015

Bibliographical note

Publisher Copyright:
Copyright © Materials Research Society 2015.

NREL Publication Number

  • NREL/JA-5K00-64952

Keywords

  • bulk transport properties
  • defect tolerance
  • perovskites

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