硅酸盐学报

Er3+掺杂对立方焦绿石陶瓷结构与介电性能的影响

作者：徐琴丁士华张倩曾卓玮钟祥清

关键词：铌酸锌铋铒掺杂介电性能分子动力学

分类号：O482；O614

出版年,卷(期):页码：2013,41(12):1609-1615

DOI：

摘要：

采用固相反应法制备(Bi1.5–xErxZn0.5)(Zn0.5Nb1.5)O7(BEZN，x = 0、0.05、0.10、0.15、0.20、0.25、0.30)陶瓷，研究了Er3+替代Bi3+对(Bi1.5Zn0.5)(Zn0.5Nb1.5)O7(BZN)陶瓷结构与介电性能的影响。结果表明：当Er3+掺杂量x < 0.15 mol时，样品为单一α-BZN相；当x≥0.15 mol时，出现第二相。用分子动力学计算Er3+分别进入A、B位的溶解能结果可知，此时Er3+可能已进入B位。随Er3+掺杂量增加，Er3+进入晶格，BEZN陶瓷密度从6.999 g/cm3减小到6.680 g/cm3，有明显细化晶粒作用。一定频率(1 MHz)条件下，峰值介电常数随Er3+掺杂量增加而减小，弛豫峰温度范围介电常数变化量Δε逐渐减小，即弛豫峰逐渐宽化和平坦。

(Bi1.5–xErxZn0.5)(Zn0.5Nb1.5)O7(BEZN, x = 0, 0.05, 0.10, 0.15, 0.20, 0.25 and 0.30) ceramic was prepared via a solid phase reaction. The influence of Er3+ doping on the microstructure and dielectric properties of the ceramic was investigated. The results show that when x < 0.15 (in mole), the composition of sample appears an α-BZN structure at room temperature. However, the second phase can be observed when x≥0.15 (in mole). The solution energy of Er3+ substituting for A site and B site was calculated based on the molecular dynamics simulation. It was found that Er3+ could be substituted for B site when x≥0.15 (in mole). The Er3+ ion substitution can be incorporated into the Bi3+ site, and the density of BEZN ceramics decreases from 6.999 g/cm3 to 6.680 g/cm3 and the grain size of BEZN ceramics reduces when the Er3+ content increases. At 1 MHz, the maximum value of dielectric constant and the variation of dielectric constant in the relax temperature range decrease with the increase of Er3+ content.

基金项目：

国家自然科学基金(11074203)；教育部春晖计划(Z2011077)；西华大学研究生创新基金(YCJJ201303，YCJJ201306)资助项目

作者简介：

第一作者：徐琴(1988—)，女，硕士研究生。通信作者：丁士华(1963—)，男，博士，教授。

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