Public defence in Inorganic Materials Chemistry, M.Sc. (Tech.) Elisabeth Albrecht

Title of the thesis: Structural Principles of A-site ordered double perovskites: ferroelectric CaMnTi2O6 as a model system

Doctoral student: M.Sc. (Tech.) Elisabeth Albrecht
Opponent: Professor emeritus Markku Leskelä, University of Helsinki
Custos: Professor Antti Karttunen, Aalto University School of Chemical Engineering, Department of Chemistry and Materials Science

The structure of A-site ordered double perovskites on the example of CaMnTi2O6

Perovskite oxide ceramics are one of the most versatile classes of crystalline materials. They are vastly researched and yet there is much more to explore. The tunability of perovskites makes them favorable because it allows one to tailor the material to very specific needs and therefore optimize efficiency. Amongst the most interesting properties that perovskites and perovskite-related materials can show are ferromagnetism, piezo-, ferro- and pyroelectricity, multiferroicity, electric conductivity, and superconductivity as well as thermal and optical features.
Influencing and experimentally analyzing the crystal structure of a material is a key aspect of inorganic solid-state chemistry and materials science. Computational methods on the other hand can be used to predict the structures before synthesis or help understand the results of the analysis of already synthesized materials. Combining both techniques, experimental and computational chemistry, becomes more and more common nowadays and enhances the scientific value of the research.
In this thesis, a computational approach to formation and structure prediction in A-site ordered double perovskites is presented. Furthermore, the structure of Ca2-xMnxTi2O6 is experimentally studied and the change with x studied as it might be an alternative to current lead containing, harmful ferroelectrics.

Thesis available for public display 10 days prior to the defence
Contact information:

M.Sc. (Tech.) Elisabeth Albrecht
[email protected] 

Doctoral theses in the School of Chemical Engineering
Zoom Quick Guide