2017•Chinese Journal of PhysicsRequires access

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

M. Benkabou, M. Harmel, A. Haddou, A. Yakoubi, N. Baki, R. Ahmed, Y. Al‐Douri, S. V. Syrotyuk, H. Khachai, R. Khenata, Chun Hong Voon, Mohd Rafie Johan

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Key concepts: WIEN2k, Debye model, Bulk modulus, Lattice constant, Local-density approximation, Density functional theory, Electronic band structure, Band gap

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