Theoretical and experimental study of the electronic structure of tin dioxide

Abstract

The electronic structure of tin dioxide has been theoretically studied within the linearized augmented plane wave method using the Wien2k program package. The total and local partial electron densities of states have been calculated. The X-ray emission K-spectrum of oxygen has been calculated. The X-ray absorption spectra of the tin M 4,5-edge and oxygen K-edge have been calculated by simulating the supercell and core hole. The calculated results have been compared with the experimental data obtained using synchrotron radiation.