Abstract
Abstract The electronic structures of the sesquioxide In 2 O 3 and Sn-doped In 2 O 3 are examined both self-consistently within the ab initio local density functional theory and using the non self-consistent extended Huckel method. A direct band gap and a wide dispersion of the bottom of the conduction band are obtained in the non-doped case. In the doped case, a narrow, half-filled band assigned to Sn is found at the bottom of the conduction band, in agreement with the metallic and transparent characteristics observed experimentally.
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