Etude des structures electroniques de In_2O_3 pur et dope avec I'etain

摘要

Investigation of the electronic structures of pure and tin-doped In_2O_3.The electronic structures of the sesquioxide In_2O_3 and Sn-doped In_2O_3 are examined both self-consisenlty within the ab initio localdensity 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 foundat the bottom of the conduction band,inagreement with the metallic and transparent characteristics observed experimentally.