The effect of Te doping on the electronic structure and thermoelectric properties of SnSe
The effect of Te doping on the electronic structure and thermoelectric properties of SnSe
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DOI：
10.1016/j.physb.2012.06.041
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发表时间：
2012-11-01
影响因子：
2.8
通讯作者：
Zhao, Wenyu
中科院分区：
文献类型：
--
作者：
Chen, Song;Cai, Kefeng;Zhao, Wenyu
采用Sn、Se和Te粉末熔融后在不同温度下热压的方法制备了SnSe_（1-x）Tex（x = 0，0.0625）块体材料。用X射线衍射仪（XRD）测定了材料的相组成，用Rietveld法对材料的晶格参数进行了修正。XRD分析表明，材料中的晶粒沿沿着（1 0 0）方向择优生长。利用Materials Studio提供的CASTEP软件包计算了SnSe 1-xTex（x = 0，0.0625）的结构行为。我们发现，碲掺杂后的SnSe的带隙从0.643到0.608 eV的减少。计算结果与实验结果吻合较好。从室温到673 K测量了所制备材料的电导率和塞贝克系数。在673 K时，SnSe的最大功率因数为0.7 μ W·cm（-1）·K（-2）。(c)2012爱思唯尔有限公司版权所有。
SnSe1-xTex (x = 0, 0.0625) bulk materials were fabricated by melting Sn, Se and Te powders and then hot pressing them at various temperatures. The phase compositions of the materials were determined by X-ray diffraction (XRD) and the crystal lattice parameters were refined by the Rietveld method performed with DBWS. XRD analysis revealed that the grains in the materials preferentially grew along the (1 0 0) directions. The structural behavior of SnSe1-xTex (x = 0, 0.0625) was calculated using CASTEP package provided by Materials Studio. We found that the band gap of SnSe reduced from 0.643 to 0.608 eV after Te doping. The calculated results were in good agreement with experimental results. The electrical conductivity and the Seebeck coefficient of the as-prepared materials were measured from room temperature to 673 K. The maximum power factor of SnSe is similar to 0.7 mu W cm(-1) K-2 at 673 K. (c) 2012 Elsevier B.V. All rights reserved.