Phénomènes de transport : contribution de l'approche ab initio et applications

Doctoral thesis French OPEN
Vérot , Martin; (2013)
  • Publisher: HAL CCSD
  • Subject: [ CHIM.OTHE ] Chemical Sciences/Other | Organic radicals | Multifonctionnalité | Méthodes post Hartree-Fock | Magnetism | Effective hamiltonian | Spintronique | Hamiltonien effectif | Magnétisme | Molecular junction | Électronique moléculaire | Molecular electronics | Constante d'échange magnétique | G-tensor | Spintronic | Magnetic exchange constant | Jonction moléculaire | Radicaux organiques | Tenseur g | Multifunctionality | Post Hartree-Fock methods

In a first part, we studied the magnetic properties of organic radicals (coupled with rare earth or between each other). We calculated the magnetic exchange and the g-tensor of these compounds to understand their magnetic susceptibility and thei magnetization curves via... View more
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