Abstract
Hybrid halide perovskites such as methylammonium lead iodide (CH3NH3PbI3) exhibit unusually low free-carrier concentrations despite being processed at low-temperatures from solution. We demonstrate, through quantum mechanical calculations, that an origin of this phenomenon is a prevalence of ionic over electronic disorder in stoichiometric materials. Schottky defect formation provides a mechanism to selfregulate the concentration of charge carriers through ionic compensation of charged point defects. The equilibrium charged vacancy concentration is predicted to exceed 0.4% at room temperature. This behavior, which goes against established defect conventions for inorganic semiconductors, has implications for photovoltaic performance.
Original language | English |
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Pages (from-to) | 1791-1794 |
Number of pages | 4 |
Journal | Angewandte Chemie - International Edition |
Volume | 54 |
Issue number | 6 |
DOIs | |
State | Published - 9 Feb 2015 |
Keywords
- Hybrid perovskites
- Ionic compensation
- Schottky defects