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• W2965131054 endingPage "20763" @default.
• W2965131054 startingPage "20757" @default.
• W2965131054 abstract "Chalcopyrite-structured semiconductor CuInSe2 has received considerable attention owing to its promising electrical and optical properties for nonlinear optical instruments and photovoltaic solar cells. In view of these interesting properties of CuInSe2, it is thought to be worthwhile to study the high-pressure electrical transport behavior of this compound. Herein, we use in situ Hall-effect measurements, temperature-dependent electrical resistivity measurements, and first-principles calculations to conduct a comprehensive study on the carrier behavior and the band structure of CuInSe2 under high pressure. The resistivity shows an obvious increase with pressure and reaches the maximum value at 7.2 GPa, indicating that pressure enlarges the band gap which has been confirmed by the result of the subsequent band structure calculations. Dramatic changes in electrical transport parameters, such as Hall coefficient, Hall mobility, carrier concentration, and electrical resistivity, are detected at 7.2 GPa, which are attributed to the structural phase transition from the chalcopyrite to the NaCl-type structure. In addition, a semiconductor-to-semiconductor transition is also observed to be associated with the structure transformation, which is different from the previous theoretical prediction. The result of the band structure calculations illustrates that CuInSe2 reaches the maximum band gap of 1.201 eV at 7.0 GPa. However, the pressure coefficient of the band gap dEi/dP is lower than that of similar binary compounds which can be explained by the combination of structural distortion effect and a p–d hybridization effect under pressure. These results provide a certain guiding role for the practical applications of the materials." @default.
• W2965131054 created "2019-08-13" @default.
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• W2965131054 date "2019-08-01" @default.
• W2965131054 modified "2023-10-14" @default.
• W2965131054 title "Electrical Transport Properties and Band Structure of CuInSe₂ under High Pressure" @default.
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• W2965131054 doi "https://doi.org/10.1021/acs.jpcc.9b05499" @default.
• W2965131054 hasPublicationYear "2019" @default.
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