Enhancing the optoelectronic and mechanical response of MgXCl3 (X = Rb, Cl) for advance energy conversion applications

Enhancing the optoelectronic and mechanical response of MgXCl3 (X = Rb, Cl) for advance energy conversion applications

Abstract Using the wien2k package in DFT, the structural, elastic, electrical, and optical characteristics of MgXCl3 (X = Rb, Ca) were investigated. Structural analysis confirmed the stability of these compounds and revealed that they possessed a cubic structure with the space group of pm-3m 221. Th...

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Bibliographic Details
Main Authors: Junaid Khan, Waqar Udin, Siddiq Ur Rahman, Khalid S. Almaary, Yousef A. Bin Jardan, Amira Ali Mohammed Al-Harethi, Tawaf Ali Shah, Rahaf Ajaj
Format: Article
Language:English
Published: Nature Portfolio 2025-08-01
Series:Scientific Reports
Subjects:
Mg-based perovskite
Win2k
DFT
Optoelectronic
Phonon
Online Access:https://doi.org/10.1038/s41598-025-97019-x
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https://doi.org/10.1038/s41598-025-97019-x

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