First principles study on electronic structure of β-Ga2O3 |
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Authors: | Kenji Yamaguchi |
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Affiliation: | Microelectronic Device Science Laboratory, Graduate School of Materials Science, Nara Institute of Science and Technology, Takayama 8916-5, Ikoma, Nara 630-0192, Japan |
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Abstract: | We have studied the electronic structure of β-Ga2O3 using the first principles full-potential linearized augmented plane wave method. It is found that β-Ga2O3 has an indirect band gap with a conduction band minimum (CBM) at Γ point and a valence band maximum on the E line. The anisotropic optical properties are explained by the selection rule of the band-to-band transitions. On the other hand, the shape of the CBM is almost isotropic and, therefore, the observed electronic anisotropy in the n-type semiconducting state should not be attributed to the properties of a perfect lattice. The Burstein-Moss shift is discussed using the effect of several allowed transitions between the levels of the valence band and the CBM. |
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Keywords: | 71.20.&minus b 78.20.&minus e 71.15.Ap |
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