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First-principal investigations of electronic, structural, elastic and optical properties of the fluoroperovskite TlLF(3) (L = Ca, Cd) compounds for optoelectronic applications

In this research work, the Tl-based fluoroperovskite compounds TlLF(3) (L = Ca, Cd) were investigated computationally using density functional theory (DFT) to comprehend their structural, elastic, optical, and electronic properties. Computation of the tolerance factor and Birch–Murnaghan curve indic...

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Detalles Bibliográficos
Autores principales: Sohail, Mohammad, Husain, Mudasser, Rahman, Nasir, Althubeiti, Khaled, Algethami, Merfat, Khan, Abid Ali, Iqbal, Anwar, Ullah, Asad, Khan, Aurangzeb, Khan, Rajwali
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8982183/
https://www.ncbi.nlm.nih.gov/pubmed/35424649
http://dx.doi.org/10.1039/d2ra00464j