Band structure of orthorhombic Rb1C60

The band structure of orthorhombic Rb1C60 (o-Rb1C60) using the crystal structure obtained by X-ray diffraction measurements was studied based on the tight-binding calculation including both σ and π electrons. The Fermi surface of this substance shows a certain nesting property in the plane perpendicular to the Γ-H direction but is three-dimensional due to the interchain interaction. The bandwidth is still smaller by one order of magnitude than the on-ball Coulomb repulsion U, in spite of some increase due to the interchain interaction.