Dr Κ. Trohidou is Director of Research at the Institute of Nanoscience and Nanotechnology of NCSR “Demokritos” in Athens, Greece. She is head of the Computational Nanostructured materials Group and the research laboratory.
Her research interests are at the area of the Theoretical Studies and Computational Modeling of nanostructured materials. Her current scientific interests include systems of magnetic nanoparticles, thin films and magnetic semiconductors. She is author of over 100 scientific articles (98 in referred scientific journals, 6 chapters in books) and editor of a book. She has been member of the organising and scientific committees for over 20 International Conferences and currently member of the editorial board of Journal of Magnetism and Magnetic Materials. She has been involved as partner and co-ordinator in several EU and other national and international projects. She has many International collaborations in particular with partners from the EU countries.
In the search for materials suitable for permanent magnets, biomedical, energy and sensing applications, magnetic materials consisting of nanoparticles are attracting a great deal of interest. The reduction in the size of magnetic nanoparticles enhances the role of their surface and results to properties non observable in bulk materials. Also recently, complex magnetic core/shell and multi-shell nanoparticles, where both core and shell(s) are either ferromagnetic (FM), ferrimagnetic (FiM) or antiferromagnetic (AFM), are becoming increasingly appealing. The synergetic combination of the properties of the different constituents can enhance their performance. The talk will give an overview of our work on the modelling of the structural characteristics and the magnetic behavior of nanomaterials in different length scales. We start with atomic scale modelling of non-interactiing nanoparticles with core/surface morphology and complex core/shell nanoparticles. Their magnetic structure is simulated by introducing the adequate surface/ interface parameters between them, using input from first-principle electronic structure calculations. Then, taking input from our atomic scale modeling, we discuss a novel mesoscopic method based on a Monte-Carlo approach to simulate films and multilayered structures of magnetic core/shell(surface) nanoparticles by reducing the number of spins to be simulated to the minimum necessary to satisfactorily represent their magnetic structure and introducing the adequate exchange parameters between them.