First-principle insight into the structural, electronic, elastic and optical properties of Cs-based double perovskites Cs(2)XCrCl(6) (X = K, Na)

This study communicates the theoretical investigations on the cubic double perovskite compounds Cs(2)XCrCl(6) (X = K or Na). Density functional theory (DFT) calculations were carried out using the TB-mBJ approximation. These compounds were found to be stable in the cubic perovskite structure having...

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Detalles Bibliográficos
Autores principales: Al-Humaidi, Jehan Y., Ullah, Abd, Khan, Naimat Ullah, Iqbal, Javed, Khan, Sajid, Algahtani, Ali, Tirth, Vineet, Al-Mughanam, Tawfiq, Refat, Moamen S., Zaman, Abid
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2023
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10336646/
https://www.ncbi.nlm.nih.gov/pubmed/37448644
http://dx.doi.org/10.1039/d3ra03706a

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10336646/
https://www.ncbi.nlm.nih.gov/pubmed/37448644
http://dx.doi.org/10.1039/d3ra03706a

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