Computer Simulation of Energy Conversion Phenomena in Complex Oxide Materials Scholarship

Scholarship Information

Award value: $30000 annually

Level of study: Postgraduate

Nationality: Australian and New Zealand

The major goal of this overarching project is to develop a comprehensive first-principles simulation approach for tailoring and assessing the potential of multiferroic oxide-based layered materials (i.e., thin films and superlattices) in energy conversion applications (i.e., photovoltaic, multicaloric, and thermoelectric). This work will involve the use of state-of-art computational methods based on density functional theory which allow to constrain the value of the relevant macroscopic electrical and magnetic variables (e.g., electrical polarization, electric displacement and magnetization) in the simulations, and the calculation of solid-state free energies.