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

Published online by Cambridge University Press:  20 May 2015

Riley E. Brandt
Affiliation:
Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, Massachusetts 02139, USA
Vladan Stevanović
Affiliation:
National Renewable Energy Laboratory, 15013 Denver West Parkway, Golden, Colorado 80401; Colorado School of Mines, 1500 Illinois Street, Golden, Colorado 80401, USA
David S. Ginley
Affiliation:
National Renewable Energy Laboratory, 15013 Denver West Parkway, Golden, Colorado 80401, USA
Tonio Buonassisi
Affiliation:
Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, Massachusetts 02139, USA
Corresponding
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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.

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Prospective Article
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Copyright © Materials Research Society 2015 

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