The mechanism of spin-phonon relaxation in endohedral metallofullerene single molecule magnets
Tanu Sharma, Rupesh Kumar Tiwari, Sourav Dey, Lorenzo A. Mariano, Alessandro Lunghi, Gopalan Rajaraman
Abstract
) reported. Through our computational analysis, we reveal that while the fullerene cage enhances crystal field splitting and provides structural stability without significantly contributing to spin-relaxation driving low-energy phonons, the internal ionic motion emerges as the primary factor controlling spin relaxation and limiting blocking temperature. This computational investigation into the spin dynamics of EMF-based SMMs provides key insights into their magnetic behaviour and suggests potential strategies for improving their performance towards futuristic SMMs.
Topics & Concepts
PhononRelaxation (psychology)Condensed matter physicsMetallofullereneCluster (spacecraft)Spin (aerodynamics)Coupling (piping)Mechanism (biology)Materials scienceMoleculeChemical physicsPhysicsQuantum mechanicsComputer scienceMetallurgyThermodynamicsSocial psychologyProgramming languagePsychologyMagnetism in coordination complexesFullerene Chemistry and ApplicationsAdvanced NMR Techniques and Applications