in this thesis, structural, electronical, and optical properties of inverse pervskite(ca3pbo) in cubic phase have been investigated.the calculation have been done based on density functional theory and according to generalized gradiant approximate (gga) as correlating potential. in order to calculate the configurations, implementing in the wien2k code have been used from 2013 version. first of ...

Miserite, as a type of calcium potasium silicate mineral, was characterized by J.D. Scott at 1975 in the form of a chain silicate structure according to  Formula. The primary cell parameters and the positioning of all atoms in the cell were characterized by scott and he also denoted that in this structure, some impurities such as,,… were substituted by  as solid solution. Beal were synthesized ...