Objective "Charge reorganization at the interface between oxides is the key feature of the emerging field of oxide-based electronics(""oxitronics""). Oxides like perovskites, ferrites, manganites (as SrTiO3, BaTiO3, Fe3O4, BiFeO3, CaMnO3) have becomethe building blocks for complex heterostructures coupling together at nanoscale different electronic and magnetic properties.Heterostructures can be used to create new outstanding electronic devices to go beyond the traditional silicon-basedarchitectures. To control oxides electro-magnetic properties it's mandatory to completely understand the phenomena takingplace at the nanoscale, like charge fluctuation and disproportionation, spin symmetry breaking or local chemicalcoordination experimentally measured with atomic-resolution and directly connected with the changes in the electronic andoptical excitations spectra. This project wants to integrate sophisticated ab initio parameter-free simulations, based onDensity Functional Theory and including many body effects, through Many Body Perturbation Theory and Time DependentDensity Functional Theory, with measurements in order to understand and to predict the mechanisms in oxides atnanoscale. These transferable and predictive parameter-free approaches will complement and guide the experiment. Thedirect comparison of calculated spectra with the experiment will permit to identify the electronic origin of the differentexcitations, their mutual interactions and their coupling driven by other degrees of freedom. The electronic structure ofoxides (charge occupation, bandstructure, bandoffsets) across the metal-insulator transition will be calculated through thecorrect estimation of dielectric screening function; effect of dopants and strain on oxides and interfaces will be analyzed bycalculating electronic and optical spectra. Moreover the side-by-side direct comparison between the calculated spectra andmeasured observables will permit to refine the theory and its ingredients." Fields of science natural scienceschemical sciencesinorganic chemistryinorganic compoundsnatural scienceschemical sciencesinorganic chemistrytransition metalsnatural scienceschemical sciencesinorganic chemistrypost-transition metalsnatural sciencesmathematicspure mathematicsgeometrynatural sciencesphysical scienceselectromagnetism and electronicssuperconductivity Programme(s) H2020-EU.1.3. - EXCELLENT SCIENCE - Marie Skłodowska-Curie Actions Main Programme H2020-EU.1.3.2. - Nurturing excellence by means of cross-border and cross-sector mobility Topic(s) MSCA-IF-2014-EF - Marie Skłodowska-Curie Individual Fellowships (IF-EF) Call for proposal H2020-MSCA-IF-2014 See other projects for this call Funding Scheme MSCA-IF-EF-ST - Standard EF Coordinator CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE CNRS Net EU contribution € 173 076,00 Address RUE MICHEL ANGE 3 75794 Paris France See on map Region Ile-de-France Ile-de-France Paris Activity type Research Organisations Links Contact the organisation Opens in new window Website Opens in new window Participation in EU R&I programmes Opens in new window HORIZON collaboration network Opens in new window Total cost € 173 076,00