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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...

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Detalles Bibliográficos
Autores principales: Habib, Anwar, Husain, Mudasser, Sajjad, Muhammad, Rahman, Nasir, Khan, Rajwali, Sohail, Mohammad, Ali, Ismat Hassan, Iqbal, Shahid, Khan, Mohammed Ilyas, Ebraheem, Sara A. M., M. El-Sabrout, Ahmed, Elansary, Hosam O.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
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