First-principles investigation of the effects of Re (La, Ce, Pr and Nd) doping on the diopside phase of glass–ceramics
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DOI: 10.1016/j.jnoncrysol.2019.119701
Abstract: Abstract The first-principles calculations based on the density functional theory (DFT) were employed to investigate the effect of rare earth (RE) elements (La, Ce, Pr and Nd) doping on diopside CaMgSi2O6. The formation energy of… read more here.
Keywords: diopside phase; principles investigation; first principles; doping diopside ... See more keywords