Quantum-Chemical and Experimental Study For Formation Interaction of Barium Titanate

Abstract

In this research we study the synthesis of Barium Titanate BTO by solid state method from 400 to 1100°C, under pressure about 5 ton.mm^-2 by using BaCO₃+TiO₂ as a reactants or BaO +TiO₂. By comparing the samples results we found that the optimum reaction is [ BaCO₃+TiO₂ (1:1)] and the best temperature for the synthesis was 1100°C. We Study the manufactured samples with DFT/B3LYB(SDD) method and we confirmed that the compound is formed from XRD diffraction pattern and DTA curves.

Keywords: Barium Titanate, Solid State, DFT,  XRD,  DTA.