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Magnetic Endohedral Metallofullerenes With Floppy Interiors, Meichun Qian, Stephen V. Ong, Shiv N. Khanna, Mark B. Knickelbein

Physics Publications

It is shown that Gd3N@C80 is a highly magnetic and very stable motif that allows enhanced contrast magnetic resonance imaging and electric dipole moment with potential for cancer treatment. Using a synergistic approach combining Stern-Gerlach experiments in beams and first-principles electronic structure studies, it is demonstrated that an isolated Gd3N has a ground state spin moment of 23μBfollowed by a noncollinear state of 17.2μB only 88meV above the ground state. The large moment is largely due to localized f electrons. As a Gd3N is embedded inside a C80 cage, the localized felectrons maintain the magnetic character while the hybridization between …