Quaternary compounds Ag2XYSe4 (X = Ba, Sr; Y = Sn, Ge) as novel potential thermoelectric materials

被引：23

作者：

Hong, A. J. ^{[1
]}

Yuan, C. L. ^{[1
]}

Liu, J-M ^{[2
,3
]}

机构：

[1] Jiangxi Normal Univ, Sch Phys Commun & Elect, Jiangxi Key Lab Nanomat & Sensors, Nanchang 330022, Jiangxi, Peoples R China

[2] Nanjing Univ, Lab Solid State Microstruct, Nanjing 210093, Peoples R China

[3] Nanjing Univ, Innovat Ctr Adv Microstruct, Nanjing 210093, Peoples R China

来源：

JOURNAL OF PHYSICS D-APPLIED PHYSICS | 2020年 / 53卷 / 11期

基金：

中国国家自然科学基金;

关键词：

thermoelectric materials; electrical conductivity; thermal conductivity; ULTRALOW THERMAL-CONDUCTIVITY; PERFORMANCE; CU; CHALCOGENIDES; CU2ZNSNSE4; INSIGHT; FIGURE; MERIT;

D O I：

10.1088/1361-6463/ab6056

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

Experimental results have shown that the quaternary compound Cu2ZnSnSe4 is an excellent thermoelectric (TE) material. This inspires us to seek the other quaternary compounds with similar chemical formula to Cu2ZnSnSe4 as TE materials. In this paper, we use the first-principle method to systematically explore the electronic and phonon structures, mechanical, thermal and TE properties of p- and n-type Ag2XYSe4 (X = Ba, Sr; Y = Sn, Ge). It is found that the ZT maximum for n-type Ag2SrGeSe4 can reach up to 1.22 at 900 K, and those for p-type Ag2SrSnSe4, Ag2SrGeSe4 and Ag2BaSnSe4 can reach up to 1.20, 1.13 and 1.12, respectively. Our work not only shows that Ag2XYSe4 (X = Ba, Sr; Y = Sn, Ge) are a kind of potential TE material, but also can inspire more theoretical and experimental research on the TE properties of quaternary compounds.

引用

页数：14

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