Pt/PZT铁电薄膜结晶性能与界面结构研究

Crystallization properties and interface structure of Pt/PZT ferroelectric thin films

锆钛酸铅[Pb(ZrxTi1-x)O3,PZT]薄膜具有优异的铁电性能,其中以(111)取向的PZT薄膜铁电性能更优异。目前对影响PZT薄膜取向生长的因素还未完全研究清楚,而PZT薄膜制备中,薄膜的择优取向生长控制是薄膜制备工艺的难点。采用TEM观察界面微观结构,利用高斯软件在TPSS/def2-TZVP水平下计算优化出PbxPt团簇分子的结构,发现界面层上形成的这类分子属于量子点范畴,结构上与PZT薄膜(111)晶面取向相似。提出高温退火生成的大量PbxPt团簇分子是(111)晶面取向生长的"诱导剂",控制界面层这种物质的生成和扩散可以控制PZT薄膜(111)取向生长。

Lead zirconate titanate（Pb（Zr xTi1–x）O3,PZT）thin films have excellent ferroelectric properties, the ferroelectric properties of （111） preferred orientation of PZT thin films is more excellent. The influence factors on the orientation growth of PZT thin film is not clear, so the preparation of PZT thin films in preferred orientation growth control is a technical difficulty. TEM was used to observe the microstructure of the interface. The optimization structure of PbxPt clusters were obtained by using Gauss software at the TPSS/def2-TZVP level. This type of molecule is formed on the interface layer belongs to the category of quantum dots whose structure is similar to that of PZT thin films with （111） orientation. PbxPt clusters which generated by high temperature annealing are “induction” of （111） crystal orientation growth. To control the generation and diffusion of Pbx Pt clusters on the interface layer can control the （111） oriented growth of the PZT film.