Structural and electrical properties of Sn-doped Ga1.375In0.625O3 with different doping concentrations

Abstract

The structural properties, band structure and density of states of Sn-doped Ga1.375In0.625O3 with different doping concentrations are studied by using the first-principle method. Results show that the lattice parameters have a tendency to increase due to the introduction of Sn dopant. There is a strong ionic bonding between O atoms and Sn atoms and the charge transports from Sn atoms to O atoms. Due to the heavy doping, the Fermi level of Sn-doped Ga1.375In0.625O3 shifts into the conduction band, and the n-type metallic conductivity is exhibited. The band tail of the new degenerate bands extends into the forbidden band, resulting in the band gap narrowing effect. In the heavy doping concentration range of 2.5–5 at%, the calculated electron effective mass slightly changes, the relative electron number increases, and the electron mobility decreases. Thus, the conductivity of Sn-doped Ga1.375In0.625O3 is enhanced slightly.