Electronic, Thermal, and Thermoelectric Transport Properties of ?-Ga2O3 from First Principles
被引:18
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作者:
Liu, Qingsong
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Guangdong Univ Technol, Sch Informat Engn, Guangzhou 510006, Peoples R ChinaGuangdong Univ Technol, Sch Informat Engn, Guangzhou 510006, Peoples R China
Liu, Qingsong
[1
]
Chen, Zimin
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Sun Yat Sen Univ, Sch Elect & Informat Technol, Guangzhou 510275, Peoples R ChinaGuangdong Univ Technol, Sch Informat Engn, Guangzhou 510006, Peoples R China
Chen, Zimin
[2
]
Zhou, Xianzhong
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Guangdong Univ Technol, Sch Informat Engn, Guangzhou 510006, Peoples R ChinaGuangdong Univ Technol, Sch Informat Engn, Guangzhou 510006, Peoples R China
Zhou, Xianzhong
[1
]
机构:
[1] Guangdong Univ Technol, Sch Informat Engn, Guangzhou 510006, Peoples R China
[2] Sun Yat Sen Univ, Sch Elect & Informat Technol, Guangzhou 510275, Peoples R China
The electronic, thermal, and thermoelectric transport properties of epsilon-Ga2O3 have been obtained from first-principles calculation. The band structure and electron effective mass tensor of epsilon-Ga2O3 were investigated by density functional theory. The Born effective charge and dielectric tensor were calculated by density perturbation functional theory. The thermal properties, including the heat capacity, thermal expansion coefficient, bulk modulus, and mode Gruneisen parameters, were obtained using the finite displacement method together with the quasi-harmonic approximation. The results for the relationship between the Seebeck coefficient and the temperature and carrier concentration of epsilon-Ga2O3 are presented according to the ab initio band energies and maximally localized Wannier function. When the carrier concentration of epsilon-Ga2O3 increases, the electrical conductivity increases but the Seebeck coefficient decreases. However, the figure of merit of thermoelectric application can still increase with the carrier concentration.
机构:
Yangzhou Univ, Coll Elect Energy & Power Engn, Yangzhou 225127, Peoples R ChinaYangzhou Univ, Coll Elect Energy & Power Engn, Yangzhou 225127, Peoples R China
Tu, Hui
Xue, Yuxiong
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Yangzhou Univ, Coll Elect Energy & Power Engn, Yangzhou 225127, Peoples R China
Innovat Ctr Radiat Applicat, Beijing 102413, Peoples R ChinaYangzhou Univ, Coll Elect Energy & Power Engn, Yangzhou 225127, Peoples R China
Xue, Yuxiong
Cao, Rongxing
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Yangzhou Univ, Coll Elect Energy & Power Engn, Yangzhou 225127, Peoples R China
Innovat Ctr Radiat Applicat, Beijing 102413, Peoples R ChinaYangzhou Univ, Coll Elect Energy & Power Engn, Yangzhou 225127, Peoples R China
Cao, Rongxing
Liu, Yang
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Yangzhou Univ, Coll Elect Energy & Power Engn, Yangzhou 225127, Peoples R China
Innovat Ctr Radiat Applicat, Beijing 102413, Peoples R ChinaYangzhou Univ, Coll Elect Energy & Power Engn, Yangzhou 225127, Peoples R China
Liu, Yang
Zheng, Shu
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Yangzhou Univ, Coll Elect Energy & Power Engn, Yangzhou 225127, Peoples R China
Innovat Ctr Radiat Applicat, Beijing 102413, Peoples R ChinaYangzhou Univ, Coll Elect Energy & Power Engn, Yangzhou 225127, Peoples R China
Zheng, Shu
Li, Hongxia
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Yangzhou Univ, Coll Elect Energy & Power Engn, Yangzhou 225127, Peoples R China
Innovat Ctr Radiat Applicat, Beijing 102413, Peoples R ChinaYangzhou Univ, Coll Elect Energy & Power Engn, Yangzhou 225127, Peoples R China
Li, Hongxia
Guo, Yuting
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Kyoto Univ, Dept Mech Engn & Sci, Nishikyo Ku, Kyoto 6158540, JapanYangzhou Univ, Coll Elect Energy & Power Engn, Yangzhou 225127, Peoples R China
Guo, Yuting
Sun, Haiyi
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Tohoku Univ, Inst Fluid Sci, 2-1-1 Katahira,Aoba Ku, Sendai 9808577, JapanYangzhou Univ, Coll Elect Energy & Power Engn, Yangzhou 225127, Peoples R China
Sun, Haiyi
Han, Dan
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Yangzhou Univ, Coll Elect Energy & Power Engn, Yangzhou 225127, Peoples R China
Innovat Ctr Radiat Applicat, Beijing 102413, Peoples R ChinaYangzhou Univ, Coll Elect Energy & Power Engn, Yangzhou 225127, Peoples R China
Han, Dan
PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES,
2025,
165
机构:
Lanzhou Jiaotong Univ, Sch New Energy & Power Engn, Lanzhou 730070, Peoples R ChinaLanzhou Jiaotong Univ, Sch New Energy & Power Engn, Lanzhou 730070, Peoples R China
Liu, Jifei
Gao, Shanshan
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Lanzhou Univ Technol, Sch Sci, Lanzhou 730050, Peoples R ChinaLanzhou Jiaotong Univ, Sch New Energy & Power Engn, Lanzhou 730070, Peoples R China
Gao, Shanshan
Li, Weixue
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Lanzhou Univ Technol, Sch Sci, Lanzhou 730050, Peoples R China
Lanzhou Univ Technol, Sch Sci, State Key Lab Adv Proc & Recycling Nonferrous Met, Lanzhou 730050, Peoples R ChinaLanzhou Jiaotong Univ, Sch New Energy & Power Engn, Lanzhou 730070, Peoples R China
Li, Weixue
Dai, Jianfeng
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Lanzhou Univ Technol, Sch Sci, Lanzhou 730050, Peoples R China
Lanzhou Univ Technol, Sch Sci, State Key Lab Adv Proc & Recycling Nonferrous Met, Lanzhou 730050, Peoples R ChinaLanzhou Jiaotong Univ, Sch New Energy & Power Engn, Lanzhou 730070, Peoples R China
Dai, Jianfeng
Suo, Zhongqiang
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Lanzhou Univ Technol, Sch Sci, Lanzhou 730050, Peoples R ChinaLanzhou Jiaotong Univ, Sch New Energy & Power Engn, Lanzhou 730070, Peoples R China
Suo, Zhongqiang
Suo, Zhengting
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Lanzhou Univ Technol, Sch Sci, Lanzhou 730050, Peoples R ChinaLanzhou Jiaotong Univ, Sch New Energy & Power Engn, Lanzhou 730070, Peoples R China
机构:
Georgia Inst Technol, George W Woodruff Sch Mech Engn, Atlanta, GA 30332 USAGeorgia Inst Technol, George W Woodruff Sch Mech Engn, Atlanta, GA 30332 USA
Shi, Jingjing
Yuan, Chao
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Georgia Inst Technol, George W Woodruff Sch Mech Engn, Atlanta, GA 30332 USAGeorgia Inst Technol, George W Woodruff Sch Mech Engn, Atlanta, GA 30332 USA
Yuan, Chao
Huang, Hsien-Lien
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Ohio State Univ, Dept Mat Sci & Engn, Columbus, OH 43210 USAGeorgia Inst Technol, George W Woodruff Sch Mech Engn, Atlanta, GA 30332 USA
Huang, Hsien-Lien
Johnson, Jared
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Ohio State Univ, Dept Mat Sci & Engn, Columbus, OH 43210 USAGeorgia Inst Technol, George W Woodruff Sch Mech Engn, Atlanta, GA 30332 USA
Johnson, Jared
Chae, Chris
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Ohio State Univ, Dept Mat Sci & Engn, Columbus, OH 43210 USAGeorgia Inst Technol, George W Woodruff Sch Mech Engn, Atlanta, GA 30332 USA
Chae, Chris
Wang, Shangkun
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Georgia Inst Technol, George W Woodruff Sch Mech Engn, Atlanta, GA 30332 USAGeorgia Inst Technol, George W Woodruff Sch Mech Engn, Atlanta, GA 30332 USA
Wang, Shangkun
Hanus, Riley
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Georgia Inst Technol, George W Woodruff Sch Mech Engn, Atlanta, GA 30332 USAGeorgia Inst Technol, George W Woodruff Sch Mech Engn, Atlanta, GA 30332 USA
Hanus, Riley
Kim, Samuel
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Georgia Inst Technol, George W Woodruff Sch Mech Engn, Atlanta, GA 30332 USAGeorgia Inst Technol, George W Woodruff Sch Mech Engn, Atlanta, GA 30332 USA
Kim, Samuel
Cheng, Zhe
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Georgia Inst Technol, George W Woodruff Sch Mech Engn, Atlanta, GA 30332 USAGeorgia Inst Technol, George W Woodruff Sch Mech Engn, Atlanta, GA 30332 USA
Cheng, Zhe
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Hwang, Jinwoo
Graham, Samuel
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Georgia Inst Technol, George W Woodruff Sch Mech Engn, Atlanta, GA 30332 USA
Georgia Inst Technol, Sch Mat Sci & Engn, Atlanta, GA 30332 USAGeorgia Inst Technol, George W Woodruff Sch Mech Engn, Atlanta, GA 30332 USA