Electronic structure of stannous oxide

We present an ab initio study of the electronic structure of SnO. Density functional theory in the local density approximation (DFT-LDA) is used in conjunction with carefully tested smooth pseudopotentials. Total energies and charge densities are calculated and analysed as a function of the atomic geometry, with a particular emphasis on the importance of low-chargedensity contributions to the interlayer cohesion. Sn02 has already been studied in the past and is used for comparison. Copyright