Figure 3
From: A novel class of oxynitrides stabilized by nitrogen dimer formation
The electronic structure of the lowest-energy SnO0.5N1.5 configuration. (a) The atomic orbital projected density of states for the material, with the total density of states shown in blue. (b) The crystal orbital Hamilton population for N-N, Sn-N and Sn-O interactions. (c) The charge density difference plot within the unit cell. The isosurfaces show 0.015 e− per Bohr radius3, with yellow bubbles indicating gained electron density while the blue bubbles reduced electron density.
