Sm掺杂β-Zn_4Sb_3晶格常数的计算与分析  

Calculation and Analysis of the Lattice Constant of β-Zn_4Sb_3 Doped with Sm

作　　者：王晴晴[1] 

机构地区：[1]蚌埠学院数学与物理系,安徽蚌埠233030

出　　处：《蚌埠学院学报》2016年第1期31-34,共4页Journal of Bengbu University

基　　金：蚌埠学院自然科学基金(2015ZR16)

摘　　要：通过Si标定法对Sm掺杂样品(Zn_(1-x)Sm_x)4_Sb_3(x=0,0.001,0.002,0.003)进行室温X射线衍射分析,利用布拉维方程和晶面间距公式计算出不同样品的晶格常数a和c;通过计算发现:随着Sm掺杂量的增加,样品的晶格常数a和c都单调的增大。结果表明Sm已经成功地掺杂进入β-Zn_4Sb_3中形成了化合物(Zn_(1-x)Sm_x)4_Sb_3。而晶格常数单调增加的原因是由于Sm^(3+)的离子半径(0.96 A。)比Zn^(2+)的离子半径(0.74 A。)大,所以替代后的化合物的晶格会随着掺杂量的增加而不断膨胀。由于晶格常数的变化,(Zn_(1-x)Sm_x)4_Sb_3(x=0,0.001,0.002,0.003)的热电性能得到很大的提升。Accuracy lattice parameters a and c of Sm doped samples were measured with X-ray diffraction by using a Si standard for calibration, the Bragg equation and the spacing formula of crystal plane were used to calculate. The result revealed that lattice constants a and c increases monotonically with increasing Sm content, which indicates that Sm has substituted for Zn to form substitutional compounds, for Sm atom （ atomic radius r-0. 96 A） are larger than that of Zn atom （ atomic radius r-0.74 A） ,leading to expansion of the host lattice. Due to the change of lattice constant, the figure of merit ZT have been greatly improved.

关 键 词：晶格常数 掺杂 Si标定法 

分 类 号：TN304.21[电子电信—物理电子学]