Density Functional Theory Unveils the Secrets of SiAuF<sub>3</sub> and SiCuF<sub>3</sub>: Exploring Their Striking Structural, Electronic, Elastic, and Optical Properties

Density Functional Theory Unveils the Secrets of SiAuF<sub>3</sub> and SiCuF<sub>3</sub>: Exploring Their Striking Structural, Electronic, Elastic, and Optical Properties

In the quest for advanced materials with diverse applications in optoelectronics and energy storage, we delve into the fascinating world of halide perovskites, focusing on SiAuF<sub>3</sub> and SiCuF<sub>3</sub>. Employing density functional theory (DFT) as our guiding light,...

Full description

Bibliographic Details
Main Authors: Fekhra Hedhili, Hukam Khan, Furqan Ullah, Mohammad Sohail, Rajwali Khan, Omar H. Alsalmi, Hussein Alrobei, Khamael M. Abualnaja, Ghaida Alosaimi, Hissah Saedoon Albaqawi
Format: Article
Language:English
Published: MDPI AG 2024-02-01
Series:Molecules
Subjects:
fluoride perovskite
density functional theory
electronic properties
structural properties
optic behaviors
Online Access:https://www.mdpi.com/1420-3049/29/5/961

Internet

https://www.mdpi.com/1420-3049/29/5/961

Similar Items