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Double Exchange Mediated Ferromagnetic Coupling Between Co Atoms In Dicobalt Complex, Kalpataru Pradhan, Purusottam Jena

Physics Publications

Realization of the full technological potential of molecular magnets requires a fundamental understanding of the origin of magnetic coupling in molecular systems. Using gradient corrected density functional theory and Cl as a ligand we show that the magnetic coupling between Co sites in a di-cobalt complex can be manipulated. While the ferromagnetic states of Co₂Cl₆ and Co₂Cl₇ are 0.07 eV and 0.20 eV lower in energy than their respective antiferromagnetic states, they are nearly degenerate in Co₂Cl₈. The origin of ferromagnetic coupling is explained using the double exchange model caused …