The full potential linearized augmented plane wave metliod within the generalized gradient: approximation was used to calculate electronic structure of ferroelectric and paraelectric KTa_(0.5)Nb_(0. 5)O_3. We calculated the density of states and band structure. From the density of states analysis, it is shown that the hybridization between B(Ta, Nb) d and O p is veiy important to the ferroelectric stability of KTa_(0.5)Nb_(0.5)O_3. This is consistent with the analysis of band structure.

Key words: ELECTRONIC STRUCTURE, FERROELECTRIC MATERIALS, TANTALUM OXIDE, NIOBIUM OXIDE, POTASSIUM OXIDE, BAND STRUCTURES