Insight into the Structural, Mechanical and Optoelectronic Properties of Ternary Cubic Barium-Based BaMCl₃ (M = Ag, Cu) Chloroperovskites Compounds

Prediction of new materials is crucial for the advancement of technology. Here, in this research work, the first-principle computation has been conducted utilizing the WIEN2K package to probe the structural, electronic, mechanical, and optical properties of barium-based chloroperovskites BaMCl<sub>3...

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Auteurs principaux:	Mudasser Husain, Abd Ullah, Ali Algahtani, Vineet Tirth, Tawfiq Al-Mughanam, Abdulaziz H. Alghtani, Nourreddine Sfina, Khaoula Briki, Hind Albalawi, Mohammed A. Amin, Ahmed Azzouz-Rached, Nasir Rahman
Format:	Artigo
Langue:	Inglês
Publié:	MDPI AG 2023-01-01
Collection:	Crystals
Sujets:	WIEN2K DFT chloroperovskites structural properties optoelectronic properties mechanical properties
Accès en ligne:	https://www.mdpi.com/2073-4352/13/1/140
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