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Structural, electronic, optical and thermodynamic investigations of NaXF3(X = Ca and Sr): First-principles calculations

Authors :
Benkabou, M.H.
Harmel, M.
Haddou, A.
Yakoubi, A.
Baki, N.
Ahmed, R.
Al-Douri, Y.
Syrotyuk, S.V.
Khachai, H.
Khenata, R.
Voon, C.H.
Johan, Mohd Rafie
Source :
Chinese Journal of Physics; February 2018, Vol. 56 Issue: 1 p131-144, 14p
Publication Year :
2018

Abstract

•The optical and thermal properties of NaXF3(X = Ca, Sr) have been investigated.•The band structure has indirect band gap (R–Γ) for NaCaF3and direct one (Γ–Γ) for NaSrF3.•The optical results revealed important using in optoelectronics.

Details

Language :
English
ISSN :
05779073
Volume :
56
Issue :
1
Database :
Supplemental Index
Journal :
Chinese Journal of Physics
Publication Type :
Periodical
Accession number :
ejs44261283
Full Text :
https://doi.org/10.1016/j.cjph.2017.12.008