Perovskites comprise a vast family of materials with many important applications in areas such as dielectrics, superconductivity and photovoltaics, among others. From a structural chemical perspective, the basic perovskite, ABO3, is the parent of a large variety of structure types obtained by substitutions on both the A and B sites, crystallographic ordering on these sites, intergrowth with other structure types and significant levels of vacancies on both the A and O sites. About 80% of the stable chemical elements can be accommodated within the perovskite and perovskite derived structures providing many opportunities for chemical manipulations, which drive changes in physical properties. I will showcase selected examples of intergrowth materials and double perovskites with B-site cation ordering in the context of low-dimensional and geometrically frustrated magnetism.
Design of functional metal-organic frameworks through computational crystal structure prediction
Metal-organic frameworks (MOFs) are highly versatile materials with diverse functional applications in gas storage and separation, catalysis, water purification and sensing, to name a few. The design of new MOFs is a challenging task, heavily reliant on experimental...
