Structural properties and spontaneous polarization behaviour in Cu-doped LiTaO3

Abstract

Abstract In this work, we have study theoretically the effect of cooling modes on the changes of spontaneous polarisation (Ps) of non-stoichiometric solid solutions of Cu-doped LiTaO3 in correlation with the defects structure. The changes of spontaneous polarization in rapid and slow cooling modes with the rate of % Cu2+ and with the Curie temperature, allows us to analyse the defect structure of solid solutions synthesized in ternary system Li2O-Ta2O5-(CuO)2 in vicinity of LiTaO3. The theoretical results obtained by application of our approach combined with the proposed vacancy models; show that the cooling modes have an effect on the spontaneous polarization, consequently on the defects structure of Cu-doped LiTaO3. In other hand, the proposed vacancy models investigated by our theoretical approach are able to describe the defect structure and the substitution mechanism in each solid solutions of Cu-doped lithium tantalate.