GIUV2016-275

Models in molecular magnetism: 1. Exchange interactions in large magnetic clusters and low dimensional magnets, Energy levels and magnetic properties, Exchange interactions between orbitally degenerate centers, 2. Crystal field interactions in single ion magnets for quantum computing. 3. Double exchange and electron delocalization in Mixed Valence systems. Chemistry of polyoxometalates: Polyoxometalates for quantum computing: The possibility of using polyoxometalates to develop new magnetic clusters of interest as q-bits for quantum computing, and as single molecule magnets will be explored. Physical characterization of molecular materials: Magneto-structural properties (ac and dc susceptibilities, magnetization, ESR, Inelastic Neutron Scattering, single-crystal X-ray diffraction).

No Determinada

• Research in Quantum Theory of Molecular Magnetism. The aim of this group is to study, both experimentally and theoretically the interest of magnetic molecules in spintronics and quantum computing. The specific objectives to reach this general goal can be summarized as follows:
• The synthesis by design of new single-molecule magnets based on lanthanoid complexes in which their properties as magnets or as spin qubits can be tuned by playing with the geometry of the coordination site and with the nature of the surrounding ligands, including radical species.
• The synthesis and characterization of electrically switchable magnetic molecules in which an electric field can be used to tune the spin state of the molecule at the nanoscale.
• The advanced physical characterization and theoretical modelling of these molecules with the aim of exploring the chemical, structural and electronic factors that determine the properties of these spin molecules and their applications in molecular nanospintronics (electric control of the spin in magnetic molecules) and in quantum computing (design of coherent molecular spin qubits).

• Modelització de materials magnètics moleculars. Modeling exchange interactions in large magnetic clusters and low dimensional magnets: Determination of the Energy levels and magnetic properties; Study of the exchange interactions between orbitally degenerate centers. Crystal field interactions in single ion magnets for quantum computing. Double exchange and electron delocalization in molecular materials.
• Computació quàntica basada en molècules magnètiques. Design and use of magnetic molecules as qubits (in particular magnetic polyoxometalates). Study and optimization of the quantum decoherence in molecular spin qubits : dipolar and hyperfine effects; modeling the phonon and molecular vibration effects. Scalability of spin qubits and design of quantum spin solids (magnetic MOFs).
• Caracterització física dels materials magnètics moleculars. Study of the magneto-structural properties of molecular materials using thermodynamic (ac and dc susceptibilities, magnetization measurements, specific heat), spectroscopic (ESR spectroscopy and Inelastic Neutron Scattering) and diffraction (single-crystal X-ray diffraction) techniques.