Structural, electronic, optical and thermodynamic investigations of NaXF 3 (X = Ca and Sr): First-principles calculations
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DOI: 10.1016/j.cjph.2017.12.008
Abstract: Abstract 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… read more here.
Keywords: structural electronic; electronic optical; investigations naxf; thermodynamic investigations ... See more keywords