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The effect of Ga−P co-doping on the electronic structure has been investigated for p-type clathrate thermoelectric semiconductor Ba_8Cu_6Ge_<40> by density functional theory (DFT) to study the possibi...lity of carrier control. In Ba_8Cu_6Ge_<40>, the Fermi energy EF lies in the valence band, and Ba_8Cu_6Ge_<40> is a p-type degenerate semiconductor. For Ga−P, Ga_2−P, and Ga_3−P co-doping, the E_F lies in the conduction band, the energy gap, and the valence band, respectively, indicating that the p/n carrier type and carrier concentration change with the Ga/P ratio. In comparison with Ba_8Cu_6Ge_<40>, the effect of Ga−P co-doping on the energy dispersion relation at the valence band edge is greater than that at the conduction band edge. Therefore, the effect on the effective mass is greater in the valence band than in the conduction band.続きを見る
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Mendeley出力
