Cargando…
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: | 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 |
Ejemplares similares
-
Computational Study of Elastic, Structural, Electronic, and Optical Properties of GaMF(3) (M = Be and Ge) Fluoroperovskites, Based on Density Functional Theory
por: Khan, Hukam, et al.
Publicado: (2022) -
Insight into the exemplary structural, elastic, electronic and optical nature of GaBeCl(3) and InBeCl(3): a DFT study
por: Shah, Saima Ahmad, et al.
Publicado: (2022) -
Correction: Insight into the exemplary structural, elastic, electronic and optical nature of GaBeCl(3) and InBeCl(3): a DFT study
por: Shah, Saima Ahmad, et al.
Publicado: (2022) -
Insight into the Structural, Electronic, Elastic, Optical, and Magnetic Properties of Cubic Fluoroperovskites ABF(3) (A = Tl, B = Nb, V) Compounds: Probed by DFT
por: Shah, Saima Ahmad, et al.
Publicado: (2022) -
First-principal investigations of electronic, structural, elastic and optical properties of the fluoroperovskite TlLF(3) (L = Ca, Cd) compounds for optoelectronic applications
por: Sohail, Mohammad, et al.
Publicado: (2022)