A DFT study of the effect of strain on the structural and electronic properties of perovskite APbBr3 (A = K, Rb, and Cs)

A DFT study of the effect of strain on the structural and electronic properties of perovskite APbBr3 (A = K, Rb, and Cs)

Abstract This study investigated the physical properties of perovskite compounds with the general formula APbBr3 (A = K, Rb, and Cs), Applying the Density Functional Theory (DFT) method. For these APbBr3 crystals, the optimum lattice constants are determined, serving as the basis for the computation...

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Bibliographic Details
Main Authors: Mohammad Reza Pazuki, Jaber Jahanbin Sardroodi, Sima Rastegar
Format: Article
Language:English
Published: Nature Portfolio 2025-07-01
Series:Scientific Reports
Subjects:
Physical property
Strain engineering
Topological phase transition
Perovskite compounds
Density functional theory (DFT)
GGA-PBE
Online Access:https://doi.org/10.1038/s41598-025-11320-3
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https://doi.org/10.1038/s41598-025-11320-3

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