High-performance non-Fermi-liquid metallic thermoelectric materials

Dong, Zirui1; Zhang, Yubo2,3; Luo, Jun1,4; Jiang, Ying4; Yu, Zhiyang5; Zhao, Nan3; Wu, Liusuo3; Ruan, Yurong2; Zhang, Fang2; Guo, Kai6; Zhang, Jiye1; Zhang, Wenqing2,3

2023-03-25

10.1038/s41524-023-01001-y

NPJ COMPUTATIONAL MATERIALS   Impact Factor & Quartile

2057-3960

Searching for high-performance thermoelectric (TE) materials in the paradigm of narrow-bandgap semiconductors is hampered by a bottleneck. Here we report on the discovery of metallic compounds, TiFexCu2x-1Sb and TiFe1.33Sb, showing the thermopower exceeding many TE semiconductors and the dimensionless figure of merits zTs comparable with the state-of-the-art TE materials. A quasi-linear temperature (T) dependent electrical resistivity in 2-700 K and the logarithmic T-dependent electronic specific heat at low temperature coexist with the high thermopower, highlighting the strong intercoupling of the non-Fermi-liquid (NFL) quantum critical behavior of electrons with TE transports. Electronic structure analysis reveals a competition between the antiferromagnetic (AFM) ordering and Kondo-like spin compensation as well as a parallel two-channel Kondo effect. The T-dependent magnetic susceptibility agrees with the quantum critical scenario of strong local correlation. Our work demonstrates the correlation among high TE performance, NFL quantum criticality, and magnetic fluctuation, which opens up directions for future research.

SCI

English

Corresponding

National Key Research and Development Program of China["2018YFA0702100","2019YFA0704901"] ; National Natural Science Foundation of China["92163212","51632005","U21A2054","52072234","51772186"] ; Guangdong Innovation Research Team Project[2017ZT07C062] ; Guangdong Provincial Key-Lab program[2019B030301001] ; Shenzhen Municipal Key-Lab program[ZDSYS20190902092905285]

Chemistry ; Materials Science

Chemistry, Physical ; Materials Science, Multidisciplinary

WOS:000957059700003

NATURE PORTFOLIO

Web of Science

1.Shanghai Univ, Sch Mat Sci & Engn, Shanghai 200444, Peoples R China
2.Southern Univ Sci & Technol, Shenzhen Inst Quantum Sci & Engn, Dept Mat Sci & Engn, Dept Phys, Shenzhen 518055, Peoples R China
3.Southern Univ Sci & Technol, Shenzhen Municipal Key Lab Adv Quantum Mat & Devic, Guangdong Prov Key Lab Computat Sci & Mat Design, Shenzhen 518055, Peoples R China
4.Shanghai Univ, Mat Genome Inst, Shanghai 200444, Peoples R China
5.Fuzhou Univ, Coll Chem, State Key Lab Photocatalysis Energy & Environm, Fuzhou 350002, Peoples R China
6.Guangzhou Univ, Sch Phys & Mat Sci, Guangzhou 510006, Peoples R China

Dong, Zirui,Zhang, Yubo,Luo, Jun,et al. High-performance non-Fermi-liquid metallic thermoelectric materials[J]. NPJ COMPUTATIONAL MATERIALS,2023,9(1).

Dong, Zirui.,Zhang, Yubo.,Luo, Jun.,Jiang, Ying.,Yu, Zhiyang.,...&Zhang, Wenqing.(2023).High-performance non-Fermi-liquid metallic thermoelectric materials.NPJ COMPUTATIONAL MATERIALS,9(1).

Dong, Zirui,et al."High-performance non-Fermi-liquid metallic thermoelectric materials".NPJ COMPUTATIONAL MATERIALS 9.1(2023).