Structural, electronic, optical and thermodynamic investigations of NaXF 3 (X = Ca and Sr): First-principles calculations

The structural, electronic and optical properties for fluoro-perovskite NaXF3 (X = Ca and Sr) compounds have calculated by WIEN2k code based on full potential linearized augmented plane wave (FP-LAPW) approach within density functional theory (DFT). To perform the total energy calculations, exchange...

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Bibliographic Details

Main Authors:	Benkabou, M.H., Harmel, M., Haddou, A., Yakoubi, Abdelkader, Baki, N., Ahmed, Rashid, Al-Douri, Yarub, Syrotyuk, Stepan V., Khachai, Houari, Khenata, Rabah, Voon, Chun Hong, Johan, Mohd Rafie
Format:	Article
Published:	Elsevier 2018
Subjects:	Q Science (General) QC Physics TK Electrical engineering. Electronics Nuclear engineering
Online Access:	http://eprints.um.edu.my/22321/ https://doi.org/10.1016/j.cjph.2017.12.008
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