Achieving higher thermoelectric performance for p-type Cr2Ge2Te6 via optimizing doping
Achieving higher thermoelectric performance for p-type Cr2Ge2Te6 via optimizing doping
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DOI：
10.1063/1.5064787
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发表时间：
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期刊：
影响因子：
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通讯作者：
Zhou Xiaoyuan
中科院分区：
文献类型：
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作者：
Tang Xiaodan;Fan Dengdong;Guo Lijie;Tan Huan;Wang Shuxia;Lu Xu;Cao Xianlong;Wang Guoyu;Zhou Xiaoyuan
Cr2Ge2Te6-based compounds with a layered structure and high symmetry hold a great promise for.15 thermoelectric applications. Our studies have been committed to improve their electrical properties.16 considering the low power factor of only 0.23 mW/mK2 in pristine samples. In this work, various.17 doping contents on the site that has less influence on the charge-conducting band have been investi-.18 gated to enhance the power factor. The results show that Fe-doping is the most favorable among.19 elements we applied. According to the first-principles calculation, the Fe doping on the Cr site.20 leads to the increment of the density of states around the Fermi level. By tuning the carrier concen-.21 tration via Fe doping, the peak power factor rises from 0.23 mW/mK2 to 0.37 mW/mK2 and zT.22 rises from 0.3 to 0.4 at 830K for Cr1.9Fe0.1Ge2Te6 along the pressing direction. These results shed.23 lights for designing high performance thermoelectric materials.
