OS0305 Additive Elements Searching in PZT for Piezoelectricity Improvement by First-Principles Calculation

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  • OS0305 第一原理計算によるPZT圧電性向上を目的とした添加元素の探索

Abstract

Recently, piezoelectric material has a very important potential for its property showing high responsiveness as a MEMS (Micro Electro Mechanical Systems) actuator. In addition, the PZT (Lead Zirconate Titanate) is a piezoelectric material most general. Then, physical property changes greatly from changes in the composition ratio. Therefore, function improvement of PZT is tried widely by additive element. However, as for them, empirical method that requires enormous cost and lacking in quantitatively is mainstream. Thus, the application of the results is difficult. Accordingly, in this research, search of the additive element low-cost and quantitatively from the viewpoint of energy by using a first-principles calculation. In consequence, V and Mn can be substitute to the B site on PZT from the cohesive energy value. Moreover, it was confirmed that the structure of PZT is maintained when added in V, and Mn by tolerance factor. Furthermore, V and Mn are lighter than the Zr, so PZT piezoelectricity can be improved by adding V or Mn.

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