First-principles studies of magnetic properties and electronic structure of EuC60

The full potential linearized augmented plane wave (FP-LAPW) method with the GGA+U approach was applied to study the electronic structures of the compound Eu6C60. Present calculations show that the hybridization between the Eu s, d state and the C60  π states plays an essential role in its FM exchange interactions between the 4f electrons and metallic properties.