Thermoelectric materials;
thermoelectric properties;
first principle band calculation (FLAPW-GGA);
electronic structure;
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摘要:
The electronic structure and electron transport properties of FeVSb half-Heusler phase were calculated using first-principles calculations and Boltzmann transport equation. We found, as a result of theoretical calculations, that the magnitude of the dimensionless of figure of merit (ZT) could be increased up to ∼0.84 due to the drastic increase of the power factor when the carrier concentration of p-type FeVSb is optimized through element substitution to vary the valence electron concentration. We revealed that this large increase in ZT is closely related to the significant variations both in electronic density of states and spectral conductivity with decreasing energy at the top of the valence band.
机构:
Toyota Technol Inst, Nagoya, Aichi 4688511, JapanToyota Technol Inst, Nagoya, Aichi 4688511, Japan
Yamamoto, Akio
Takeuchi, Tsunehiro
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机构:
Toyota Technol Inst, Nagoya, Aichi 4688511, Japan
Japan Sci & Technol Agcy, PRESTO, Chiyoda Ku, Tokyo 1020076, Japan
Nagoya Univ, GREMO, Nagoya, Aichi 4648603, JapanToyota Technol Inst, Nagoya, Aichi 4688511, Japan
机构:
Zhejiang Univ, Dept Mat Sci & Engn, State Key Lab Silicon Mat, Hangzhou 310027, Peoples R ChinaZhejiang Univ, Dept Mat Sci & Engn, State Key Lab Silicon Mat, Hangzhou 310027, Peoples R China
Fu, Chenguang
Xie, Hanhui
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机构:
Zhejiang Univ, Dept Mat Sci & Engn, State Key Lab Silicon Mat, Hangzhou 310027, Peoples R ChinaZhejiang Univ, Dept Mat Sci & Engn, State Key Lab Silicon Mat, Hangzhou 310027, Peoples R China
Xie, Hanhui
Liu, Yintu
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机构:
Zhejiang Univ, Dept Mat Sci & Engn, State Key Lab Silicon Mat, Hangzhou 310027, Peoples R ChinaZhejiang Univ, Dept Mat Sci & Engn, State Key Lab Silicon Mat, Hangzhou 310027, Peoples R China
Liu, Yintu
Zhu, T. J.
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机构:
Zhejiang Univ, Dept Mat Sci & Engn, State Key Lab Silicon Mat, Hangzhou 310027, Peoples R China
Zhejiang Univ, Cyrus Tang Ctr Sensor Mat & Applicat, Hangzhou 310027, Peoples R ChinaZhejiang Univ, Dept Mat Sci & Engn, State Key Lab Silicon Mat, Hangzhou 310027, Peoples R China
Zhu, T. J.
Xie, Jian
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机构:
Zhejiang Univ, Dept Mat Sci & Engn, State Key Lab Silicon Mat, Hangzhou 310027, Peoples R ChinaZhejiang Univ, Dept Mat Sci & Engn, State Key Lab Silicon Mat, Hangzhou 310027, Peoples R China
Xie, Jian
Zhao, X. B.
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机构:
Zhejiang Univ, Dept Mat Sci & Engn, State Key Lab Silicon Mat, Hangzhou 310027, Peoples R ChinaZhejiang Univ, Dept Mat Sci & Engn, State Key Lab Silicon Mat, Hangzhou 310027, Peoples R China
机构:
Tsinghua Univ, Dept Mat Sci & Engn, State Key Lab New Ceram & Fine Proc, Beijing 100084, Peoples R ChinaTsinghua Univ, Dept Mat Sci & Engn, State Key Lab New Ceram & Fine Proc, Beijing 100084, Peoples R China
Zou, Minmin
Li, Jing-Feng
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机构:
Tsinghua Univ, Dept Mat Sci & Engn, State Key Lab New Ceram & Fine Proc, Beijing 100084, Peoples R ChinaTsinghua Univ, Dept Mat Sci & Engn, State Key Lab New Ceram & Fine Proc, Beijing 100084, Peoples R China
Li, Jing-Feng
Guo, Peijun
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机构:
Tsinghua Univ, Dept Mat Sci & Engn, State Key Lab New Ceram & Fine Proc, Beijing 100084, Peoples R ChinaTsinghua Univ, Dept Mat Sci & Engn, State Key Lab New Ceram & Fine Proc, Beijing 100084, Peoples R China
Guo, Peijun
Kita, Takuji
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机构:
Toyota Motor Co Ltd, Higashifuji Tech Ctr, Vehicle Engn Grp, Adv Mat Engn Div, Shizuoka 4101193, JapanTsinghua Univ, Dept Mat Sci & Engn, State Key Lab New Ceram & Fine Proc, Beijing 100084, Peoples R China
机构:
Zhejiang Univ, State Key Lab Silicon Mat, Hangzhou 310027, Peoples R China
Zhejiang Univ, Sch Mat Sci & Engn, Hangzhou 310027, Peoples R ChinaZhejiang Univ, State Key Lab Silicon Mat, Hangzhou 310027, Peoples R China
Xia, Kaiyang
Hu, Chaoliang
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机构:
Zhejiang Univ, State Key Lab Silicon Mat, Hangzhou 310027, Peoples R China
Zhejiang Univ, Sch Mat Sci & Engn, Hangzhou 310027, Peoples R ChinaZhejiang Univ, State Key Lab Silicon Mat, Hangzhou 310027, Peoples R China
Hu, Chaoliang
Fu, Chenguang
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h-index: 0
机构:
Zhejiang Univ, State Key Lab Silicon Mat, Hangzhou 310027, Peoples R China
Zhejiang Univ, Sch Mat Sci & Engn, Hangzhou 310027, Peoples R ChinaZhejiang Univ, State Key Lab Silicon Mat, Hangzhou 310027, Peoples R China
Fu, Chenguang
Zhao, Xinbing
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机构:
Zhejiang Univ, State Key Lab Silicon Mat, Hangzhou 310027, Peoples R China
Zhejiang Univ, Sch Mat Sci & Engn, Hangzhou 310027, Peoples R ChinaZhejiang Univ, State Key Lab Silicon Mat, Hangzhou 310027, Peoples R China
Zhao, Xinbing
Zhu, Tiejun
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机构:
Zhejiang Univ, State Key Lab Silicon Mat, Hangzhou 310027, Peoples R China
Zhejiang Univ, Sch Mat Sci & Engn, Hangzhou 310027, Peoples R ChinaZhejiang Univ, State Key Lab Silicon Mat, Hangzhou 310027, Peoples R China