Structures and Stabilities of Alkaline Earth Metal Oxide Nanoclusters: A DFT Study
Figure 3
(a) Optimized structures from LDA and GGA calculations, along with the initial geometries for the (MgO)4 system. (b) Optimized structures from LDA and GGA calculations, along with the initial geometries for the (CaO)4 system. (c) Optimized structures from LDA and GGA calculations, along with the initial geometries for the (SrO)4 system. The (BaO)4 system is similar.
