Domain walls and defects in multifunctional ferroelectrics: an ab initio based study
13th July 2017, ICAMS SPECIAL SEMINAR, ICAMS, IC 02-518, Ruhr-Universität Bochum
Start: 13th July 2017 02:00 p.m.
End: 13th July 2017 03:00
Anna Grünebohm, Uninversität Duisburg-Essen
Matous Mrovec, ICAMS, Ruhr-Universität Bochum
In ferroelectric oxides ferroic and structural degrees of freedom are strongly coupled to each other and to external stimuli such as an external electric field, stress, or temperature.
The resulting piezoelectric, pyroelectric, and electrocaloric responses are promising for energy harvesting and novel cooling applications.
However, the largest responses are found in the vicinity of the phase transitions typically far above room temperature.
In this talk I report on different ways to optimize the responses by means of ab initio based molecular dynamics simulations.
In particular, I will discuss the impact of epitaxial strain, different domain configurations, and defects.