Layered ordering of Br and I anions in CsPbBrxI3-x perovskites induces strongly anisotropic defect diffusion, with ready migration along layers and strongly suppressed diffusion across layers due to strain, octahedral tilting, and local bonding preferences.
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The choice of electron-positron correlation functional produces substantially different positron lifetime values in lead halide perovskites, especially for A-site vacancies, and may require reinterpretation of experimental measurements.
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Anisotropic Defect Diffusion in Layered CsPbBr$_\mathrm{x}$I$_\mathrm{3-x}$ Perovskites
Layered ordering of Br and I anions in CsPbBrxI3-x perovskites induces strongly anisotropic defect diffusion, with ready migration along layers and strongly suppressed diffusion across layers due to strain, octahedral tilting, and local bonding preferences.
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Challenges in predicting positron annihilation lifetimes in lead halide perovskites: correlation functionals and polymorphism
The choice of electron-positron correlation functional produces substantially different positron lifetime values in lead halide perovskites, especially for A-site vacancies, and may require reinterpretation of experimental measurements.