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Systematic investigation of the magneto-electronic structure and optical properties of new halide double perovskites Cs(2)NaMCl(6) (M = Mn, Co and Ni) by spin polarized calculations
A cohesive study using density functional theory simulations is performed to reveal and understand the structural stability, optoelectronic and magnetic properties of Cs(2)NaMCl(6) (M = Mn, Co and Ni) halide double perovskites. The exchange-correlation potential, which is the only unknown parameter...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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The Royal Society of Chemistry
2020
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9055444/ https://www.ncbi.nlm.nih.gov/pubmed/35519779 http://dx.doi.org/10.1039/d0ra02817g |