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

共 50 条

[41] Electronic structure and thermoelectric properties of (Mg2X)2 / (Mg2Y)2 (X, Y = Si, Ge, Sn) superlattices from first-principle calculations
San-Dong Guo
The European Physical Journal B, 2016, 89
[42] Thermoelectric Properties and Electronic Structure of Bi- and Ag-Doped Mg2Si1-x Ge x Compounds
Mars, K.
Ihou-Mouko, H.
Pont, G.
Tobola, J.
Scherrer, H.
JOURNAL OF ELECTRONIC MATERIALS, 2009, 38 (07) : 1360 - 1364
[43] Efficient low temperature homojunction exploring into Ag(Bi,X)Se2 (X=Sn, Sb and Pb) compounds for thermoelectric devices
Rameshkumar, S.
Vignesh, D.
Kumar, Mohanraj
PHYSICA B-CONDENSED MATTER, 2025, 700
[44] Cu2Zn(Si,Ge)Se4 quaternary semiconductors as potential photovoltaic materials
Jibran, M.
Sun, X.
Hua, J.
Wang, B.
Yamauchi, Y.
Da, B.
Ding, Z. J.
CHEMICAL PHYSICS LETTERS, 2020, 756 (756)
[45] Magnetic properties and electronic structure of R3T4X4 compounds (R = Pr, Nd; T = Cu, Ag; X = Ge, Sn)
Penc, B.
Kaczorowski, D.
Szytula, A.
Winiarski, A.
Zarzycki, A.
INTERMETALLICS, 2007, 15 (11) : 1489 - 1496
[46] Hydrogen in RE(6)Fe(13)XH(y) intermetallic compounds (RE=Pr, Nd; X=Ag, Au, Si, Ge, Sn, Pb)
LeitheJasper, A
Skomski, R
Qi, QN
Coey, JMD
Weitzer, F
Rogl, P
JOURNAL OF PHYSICS-CONDENSED MATTER, 1996, 8 (19) : 3453 - 3469
[47] FORMATION OF COMPOUNDS IN THE QUASI-BINARY SYSTEMS ACX4-MX2 (AC = TH, U-M = CA, SR, BA, EU, GE, SN, PB-X = BR, I)
BECK, HP
THIEL, W
SCHUSTER, M
ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 1993, 619 (02): : 221 - 227
[48] TERNARY LITHIUM COMPOUNDS WITH FORMULAS OF LIME2X AND LI2MEX (ME=CU, AG OR AU - X=SI, GE OR SN)
SCHUSTER, HU
THIEDEMA.D
SCHONEMA.H
ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 1969, 370 (3-4): : 160 - &
[49] ACu9X4 -: New compounds with CeNi8,5Si4,5 structure (A: Sr, Ba; X: Si, Ge)
Kranenberg, C
Mewis, A
ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 2003, 629 (06): : 1023 - 1026
[50] Ideal Inner Nodal Chain Semimetals in Li2XY (X = Ca, Ba; Y = Si, Ge) Materials
Zhang, Xiaoming
Jin, Lei
Dai, Xuefang
Chen, Guifeng
Liu, Guodong
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2018, 9 (18): : 5358 - +

← 1 2 3 4 5 →