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Wenlai Mu(母文来), Nisar Muhammad(穆罕默德·尼萨), Baojuan Dong(董宝娟), Nguyen Tuan Hung(阮俊兴), Huaihong Guo(郭怀红), Riichiro Saito(斋藤理一郎), Weijiang Gong(公卫江), Teng Yang(杨腾), and Zhidong Zhang(张志东). 2025: Enhanced thermoelectric properties of the topological phase of monolayer HfC, Chinese Physics B, 34(5): 057301. doi: 10.1088/1674-1056/adbd17
Citation: Wenlai Mu(母文来), Nisar Muhammad(穆罕默德·尼萨), Baojuan Dong(董宝娟), Nguyen Tuan Hung(阮俊兴), Huaihong Guo(郭怀红), Riichiro Saito(斋藤理一郎), Weijiang Gong(公卫江), Teng Yang(杨腾), and Zhidong Zhang(张志东). 2025: Enhanced thermoelectric properties of the topological phase of monolayer HfC, Chinese Physics B, 34(5): 057301. doi: 10.1088/1674-1056/adbd17
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Enhanced thermoelectric properties of the topological phase of monolayer HfC

  • 1 Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, School of Materials Science and Engineering, University of Science and Technology of China, Shenyang 110016, China;

  • 2 Hefei National Laboratory for Physical Sciences at Microscale and Department of Physics, University of Science and Technology of China, Hefei 230026, China;

  • 3 Liaoning Academy of Materials, Shenyang 110167, China;

  • 4 State Key Laboratory of Quantum Optics and Quantum Optics Devices, Institute of Opto-Electronics, Shanxi University, Taiyuan 030006, China;

  • 5 Collaborative Innovation Center of Extreme Optics, Shanxi University, Taiyuan 030006, China;

  • 6 Frontier Research Institute for Interdisciplinary Sciences, Tohoku University, Sendai 980-8578, Japan;

  • 7 College of Sciences, Liaoning Petrochemical University, Fushun 113001, China;

  • 8 Department of Physics, Tohoku University, Sendai 980-8578, Japan;

  • 9 College of Sciences, Northeastern University, Shenyang 110819, China

  • Received Date: 10/01/2025
    Accepted Date: 03/03/2025
  • Fund Project:

    Project supported by the National Natural Science Foundation of China (Grant No. 52031014), the Strategic Priority Research Program of the Chinese Academy of Sciences (Grant No. XDB0460000), and the National Key Research and Development Program of China (Grant No. 2022YFA1203900). Baojuan Dong acknowledges the National Natural Science Foundation of China (Grant Nos. 12004228 and U21A6004). Riichiro Saito acknowledges a JSPS KAKENHI (Grant No. JP22H00283), Nguyen Tuan Hung acknowledges financial support from the Frontier Research Institute for Interdisciplinary Sciences, Tohoku University. Weijiang Gong acknowledges financial support from the National Natural Science Foundation of China (Grant No. 51702146).

  • PACS: 73.50.Lw; 31.15.A-

  • Thermoelectric properties of a topological insulator, monolayer HfC, are calculated using first-principles calculation, which accounts for the two contributions from edge and bulk states. By applying strain up to 8% along the $a$ axis, the monolayer HfC shows the topological phase while it is in a non-topological state without strain. The figure of merit, $ZT$, for the topological phase becomes two-ordered magnitude larger ($ZT$ $\sim$ 2) because of larger electric conductivity than that of the non-topological phase due to edge current. The total Seebeck coefficient $S$, and $ZT$ have maximum values when the chemical potential is located at the highest energy of the edge state. The peak of $ZT$ comes from the fact that the product of divergent $S$ and quickly-decreasing electric conductivity above the highest energy of the edge state. We further optimize $S$ and $ZT$ by changing the sample size and temperature.
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Enhanced thermoelectric properties of the topological phase of monolayer HfC

  • Received Date: 10/01/2025
  • Accepted Date: 03/03/2025
Fund Project: 

Abstract: Thermoelectric properties of a topological insulator, monolayer HfC, are calculated using first-principles calculation, which accounts for the two contributions from edge and bulk states. By applying strain up to 8% along the $a$ axis, the monolayer HfC shows the topological phase while it is in a non-topological state without strain. The figure of merit, $ZT$, for the topological phase becomes two-ordered magnitude larger ($ZT$ $\sim$ 2) because of larger electric conductivity than that of the non-topological phase due to edge current. The total Seebeck coefficient $S$, and $ZT$ have maximum values when the chemical potential is located at the highest energy of the edge state. The peak of $ZT$ comes from the fact that the product of divergent $S$ and quickly-decreasing electric conductivity above the highest energy of the edge state. We further optimize $S$ and $ZT$ by changing the sample size and temperature.

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