Projet ANR-07-BLAN-0151 – CEDA : Convergence of Electron spin, charge and momentum Densities Analysis
Programme : Blanc (BLANC) 2007
Année de financement : 2007
Coordinateur du projet : CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - DELEGATION REGIONALE ILE-DE-FRANCE SECTEUR OUEST ET NORD (CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - DELEGATION REGIONALE ILE-DE-FRANCE SECTEUR OUEST ET NORD)
Partenaires : Centre national de la recherche scientifique; Commissariat à l'énergie atomique et aux énergies alternatives; Université Claude Bernard - Lyon 1; Université de Lorraine
Montant : 350000.0 euros
Date de début : 2007
Durée : 36 mois
Résumé : The proposed project aims at providing the scientific community with a quite systematic way to exploit the richness of x-rays and neutrons scattering experiments so that a more reliable and deeper understanding of electronic behaviour in molecular solids can be reached. -  The project will be two fold. It will firstly be a methodology project with, as a first objective, the construction of a density matrix model adequate for gathering data from experiments as different as .polarized neutrons diffraction, high resolution x-rays diffraction and Compton scattering (magnetic or not). In that respect, it is intended to offer a public domain computer code to carry out a one particle density matrix refinement from such a large set of different data. Secondly, we intend to demonstrate the efficiency of the joint approach by bringing this way, new insights on mechanisms responsible for molecular magnets. Therefore this project gathers three groups of physicists (Ecole Centrale (Compton experiments, software design and management of the project), Nancy (RX + software) and Saclay (polarized neutrons + software)) and one chemistry team (Lyon, synthesis of molecular magnet and application of the proposed methodology to chemical problems). -                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                   ...