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Updated: Oct 28, 2025
08:12
Low Pressure Vapor-assisted Solution Process for Tunable Band Gap Pinhole-free Methylammonium Lead Halide Perovskite Films
Published on: September 8, 2017
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Pressure effect on structures and optoelectronic attributes of mixed halide CsPb(I/Br)3: a density functional theory
Summary
High pressure impacts bromine-substituted cesium lead iodide properties. Electronic bandgap and optical characteristics shift, offering insights for advanced solar cells and optoelectronics.
Area of Science:
- Materials Science
- Condensed Matter Physics
- Solid State Chemistry
Background:
- Cesium lead iodide (CsPbI3) is a promising inorganic halide perovskite material.
- Understanding material properties under pressure is crucial for device applications.
Purpose of the Study:
- Investigate the effect of high pressure (up to 10 GPa) on the electronic and optical properties of bromine-substituted cesium lead iodide (CsPbI3-Brx).
- Explore the potential of these materials in solar cells and optoelectronics.
Main Methods:
- Utilized the modified Becke-Johnson (mBJ) potential for electronic structure calculations.
- Employed density functional perturbation theory to compute optical properties.
- Calculated lattice parameters, electronic bandgap, dielectric function, and optical absorption coefficient.
Main Results:
- Observed uniform contraction of the unit cell without structural or phase transformations under pressure.
- Determined variations in the electronic bandgap for all structures.
- Found maximum bandgap decrease of 1.65 eV for doped and minimum of 1.46 eV for undoped CsPbBrI2.
Conclusions:
- High pressure significantly influences the electronic and optical properties of CsPbI3-Brx.
- The findings provide valuable data for designing high-performance solar cells and optoelectronic devices under pressure.
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