Surface electronic structure of SnO 2(110)

Abstract

We report theoretical investigations on the surface electronic structure of the (110)-face of SnO 2, a semiconductor of rutile bulk structure. Starting with a tight binding Hamiltonian for the bulk, we determine the surface electronic structure using the scattering theoretic method. As results we obtain the surface bound states, the surface resonances and the wave-vector resolved surface layer densities of states. The dominant features are two backbond states in the stomach gap of the main valence band and two Sn- s derived states in the lower conduction band region. In the upper valence band region, only weak resonances occur, like in other materials with relatively strong ionicity.