2019 Volume 27 Pages 121-125
First-principles calculations were conducted to study the possibility of the formation of SnTiO3. Nanocluster models were used, and BaTiO3 and SnTiO3 were studied. SnTiO3 was stabilized with Sn rich surface similar to the BaTiO3. Also, SnTiO3 has smaller surface energy than that of BaTiO3, suggesting the possibility of the formation of nanoparticles of SnTiO3 and stabilization of the unstable structure with nanometer-size. As a result of nanoparticle synthesis of BaTiO3, Ba deficient structure was elucidated. Under the condition, the synthesis of Sn-Ti composite oxide was studied.