新型生物相容性压电薄膜的生长预测方法

Yutaka Yasoda, Y. Uetsuji, K. Tsuchiya
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引用次数: 0

摘要

MgSiO3(硅酸镁)是一种具有较大自发极化的新型生物相容性压电材料。然后,对晶体薄膜生长预测方法进行改进,以预测非择优取向方向的生长取向。利用缓冲层计算出的畸变晶体各取向的总能量与稳定结构下的总能量进行了比较。稳定态和各晶体取向图之间的总能差表现出与x射线峰强度相似的趋势。然后,晶体生长需要能量差低于0.001 eV。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Growth prediction method for new biocompatible piezoelectric thin films
We have focused on MgSiO3 (Magnesium Silicate) which is a new biocompatible piezoelectric material having large spontaneous polarization. Then, crystal thin film growth prediction method was improved in order to predict growth orientation of the non-preferred orientation direction. Calculated total energy in each orientation of distorted crystal by the buffer layer was compared to the value in the stable structure. Total energy difference between the stable state and each crystal orientation pattern showed a trend similar to that of the X-ray peak intensity. Then, energy difference needed to be below 0.001 eV for crystal to be grown.
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