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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...
Autores principales: | , , , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
The Royal Society of Chemistry
2022
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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 |