A team of researchers from Penn State, Cornell and Argonne National Laboratory have manages to visualize, for the first time, the 3D atomic and electron density structure of the most complex perovskite crystal structure system known to date.
A reconstruction of a perovskite crystal (CaTiO3) grown on a similar perovskite substrate (NdGaO3) showing electron density and oxygen octahedral tilt. Credit: Penn State
The team explains that perovskite crystals have a distinct structure of oxygen atoms that form an octahedron — an eight-sided polygon. This arrangement of oxygen atoms acts like a cage that can hold a large number of the elemental atoms in the periodic table. Additionally, other atoms can be fixed to the corners of a cube outside of the cage at precise locations to alter the material’s properties, for instance in changing a metal into an insulator, or a non-magnet into a ferromagnet.