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The electronic structures and optical properties of intrinsicβ-Ga_2O_3 and Zn-dopedβ-Ga_2O_3 are investigated by first-principles calculations.The analysis about the thermal stability shows that Zn-dopedβ-Ga_2O_3 remains stable. The Zn doping does not change the basic electronic structure ofβ-Ga_2O_3,but only generates an empty energy level above the maximum of the valence band,which is shallow enough to make the Zn-dopedβ-Ga_2O_3 a typical p-type semiconductor.Because of Zn doping,absorption and reflectivity are enhanced in the near infrared region.The higher absorption and reflectivity of Zn_(Ca(2)) than those of Zn_(Ca(1))are due to more empty energy states of Zn_(Ca(2))than those of Zn_(Ca(1)) near E_f in the near infrared region.
The electronic structures and optical properties of intrinsic β-Ga 2 O 3 and Zn-doped β-Ga 2 O 3 are investigated by first-principles calculations. The analysis about the thermal stability shows that Zn-doped β-Ga 2 O 3 remains stable. The Zn doping does not change the basic electronic structure of β-Ga 2 O 3, but only only an empty energy level above the maximum of the valence band, which is shallow enough to make the Zn-doped β-Ga 2 O 3 a typical p-type semiconductor.Because of Zn doping, absorption and reflectivity are enhanced in the (Ca (2)) than those of Zn_ (Ca (1)) due due to more empty energy states of Zn_ (Ca (2)) than those of Zn_ (Ca )) near E_f in the near infrared region.