The Dielectric and Piezoelectric Properties of YCa4O(BO3)3 Crystal Annealed in Critical Condition

Shi-wei Tian, Lili Li, F. Yu, Yan-lu Li, Xiu-feng Cheng, Zhengping Wang, Xian Zhao
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Abstract

The YCa4O(BO3)3 (YCOB) crystal is an attractive piezoelectric material for sensing at elevated temperatures. In this paper, the dielectric and piezoelectric properties of YCOB crystal annealed at high temperature of 1100°C and low atmosphere pressure of 2 Pa for 24 h were reported. Comparing to the pristine YCOB crystal, the relative dielectric permittivity $(\varepsilon _{22}/\varepsilon _{0})$ slightly increased after annealing, while the piezoelectric coefficient (d26) got decreased, with a variation of $\lt 7\%$. The chemical bonding for the annealed YCOB was studied using X-ray photoelectron spectroscopy, from which the variations of binding energies of B, Ca, and Y decreased below 0.2 eV, indicating the stable electronic structure of YCOB crystal. The vacancy formation energies for Y, Ca, O, and B atoms in YCOB crystal were also analyzed via first principle calculations. The O atom was found to possess the lowest vacancy formation energy, thus easier to evaporate during critical annealing and easier to compensate than other atoms. The vacancy defects are believed to be the main factor dominant the variations of dielectric and piezoelectric properties.
临界退火yca40o (BO3)3晶体的介电和压电性能
yca40 (BO3)3 (YCOB)晶体是一种有吸引力的高温传感压电材料。本文报道了YCOB晶体在1100℃高温和2 Pa低气压下退火24 h后的介电和压电性能。与原始YCOB晶体相比,退火后的相对介电常数$(\varepsilon _{22}/\varepsilon _{0})$略有增加,而压电系数(d26) $下降,变化幅度$\lt \ 7% $。利用x射线光电子能谱研究了YCOB晶体的化学键,发现B、Ca和Y的结合能变化均小于0.2 eV,表明YCOB晶体的电子结构稳定。通过第一性原理计算分析了YCOB晶体中Y、Ca、O和B原子的空位形成能。发现O原子具有最低的空位形成能,因此在临界退火过程中比其他原子更容易蒸发和更容易补偿。空位缺陷是影响材料介电和压电性能变化的主要因素。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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