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Appealing perspectives of the structural, electronic, elastic and optical properties of LiRCl(3) (R = Be and Mg) halide perovskites: a DFT study
To enhance the effectiveness of materials, we are motivated to investigate lithium-based halide perovskites LiRCl(3) (where R = Be and Mg) using first-principles techniques based on density functional theory (DFT), implemented in the WIEN2K code. In this study, the research makes use of the WIEN2K s...
Autores principales: | , , , , , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
The Royal Society of Chemistry
2023
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10284150/ https://www.ncbi.nlm.nih.gov/pubmed/37350857 http://dx.doi.org/10.1039/d3ra02640j |