Abstract

Abstract

Highlights

  • Lead and tin halide perovskites have recently been shown to exhibit impressive performance in a range of optoelectronic applications ranging from photovoltaics to radiation detection to lasing, but are unusual in several respects relative to conventional semiconductors

  • The electronic configuration of Pb (Sn) in halide perovskites––with a 6s2 (5s2) lone pair––imparts several unusual properties to these compounds, many of which are favorable for their optoelectronic applications

  • The antibonding nature of states at the valence band (VB) edge may contribute to the defect tolerance of these materials and produces a large positive bandgap temperature coefficient

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Summary

Introduction

Lead and tin halide perovskites have recently been shown to exhibit impressive performance in a range of optoelectronic applications ranging from photovoltaics to radiation detection to lasing, but are unusual in several respects relative to conventional semiconductors. These materials can be prepared under mild conditions from modest purity precursors, and yet they are highly crystalline and exhibit sharp optical absorption onsets. The lattice dynamical impacts are profound, with the lone pairs leading to substantially elevated lattice polarizability

Lone pairs and their stereochemistry
Light holes and favorable band alignment in halide perovskites
Unconventional bandgap and defect tolerance
Large ionic dielectric response
Enormous positive thermal expansion
Summary
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