LDA+U evaluation of the stability of low-index facets of LaCoO3 perovskite

Surface stability diagram for LaCoO3 perovskite are determined at the LDA+U level. Results are reported as a function of the excess La (∆μLA horizontal axis) and excess O (∆μo, vertical axis) chemical potentials. The LaO(100) surface is stable over a wide range of conditions.150