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Insight into the Exemplary Physical Properties of Zn-Based Fluoroperovskite Compounds XZnF(3) (X = Al, Cs, Ga, In) Employing Accurate GGA Approach: A First-Principles Study
Using the full-potential linearized augmented plane wave (FP-LAPW) method, dependent on density functional theory, the simple cubic ternary fluoroperovskites XZnF(3) (X = Al, Cs, Ga, In) compound properties, including structural, elastic, electronic, and optical, are calculated. To include the effec...
Autores principales: | , , , , , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2022
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9000747/ https://www.ncbi.nlm.nih.gov/pubmed/35408001 http://dx.doi.org/10.3390/ma15072669 |