The role of Mn in the electronic structure of Ba3Ti2MnO9

The energy loss near edge structure (ELNES) of the O–K, Ti–L23 and Mn–L23 edges have been recorded in hexagonal Ba3Ti2MnO9 with an energy resolution of 0.10–0.20 eV using a monochromator on a commercial transmission electron microscope (TEM) and compared with a tetragonal BaTiO3 reference sample. The formal valency and symmetry of Mn have been determined using atomic multiplets calculations and its effect on the electronic structure of BaTiO3 has been interpreted through a molecular-orbital model.