Comment and discussion on “Insight into the structural, electronic, mechanical and optical properties of inorganic lead bromide perovskite APbBr3 (A = Li, Na, K, Rb, and Cs)” by Bourachid et al. [Computational Condensed Matter 24 (2020) e00478]

Abstract

In the present study, we point out some imperfections in the work published by Bourachid et al. in Computational Condensed Matter 24 (2020) e00478. Regrettably, we reviewed and examining their work deeply, a certain numerical imperfection was observed in their theoretical evidence for the thermodynamic properties viz. Debye temperature of inorganic lead bromide perovskite APbBr₃ (A = Li, Na, K, Rb and Cs) discussed by Bourachid et al. [1], which are crystallizing in cubical form and is assigned to the space group Pm3m #221. So, we have proposed to enhance the accuracy in the results for such parameters in their work, carefully, we take off all the possible certain numerical imperfections, present in their computational theoretical evidence in Debye temperatures of APbBr₃ perovskite halides. Furthermore, again all the data are carefully reviewed by us and employing the appropriate formulas based on the structural parameters and the elastic moduli presented by Bourachid et al. [1]. Results for the Debye temperature (θ_D) of LiPbBr₃, NaPbBr₃, KPbBr₃, RbPbBr₃ and CsPbBr₃ found by Bourachid et al. [1], clearly, show a significantly percentage deviation 10.399 % ≤ δ ≤ 17.904 % from our existing outcomes. These types of perovskite compounds are prominence technological importance in the fields of materials science, physics, and chemistry and they evolved as more appropriate and well-organized materials for enormous applications like the solar cells and photonic components.