Paper detail

Electronic and magnetic properties of the ionic Hubbard model on the striped triangular lattice at 3/4 filling

We report a detailed study of a model Hamiltonian which exhibits a rich interplay of geometrical spin frustration, strong electronic correlations, and charge ordering. The character of the insulating phase depends on the magnitude of Delta/|t| and on the sign of t. We find a Mott insulator for Delta >> U >> |t|; a charge transfer insulator for U >> Δ>> |t|; and a correlated covalent insulator for U >> Δ~ |t|. The charge transfer insulating state is investigated using a strong coupling expansion. The frustration of the triangular lattice can lead to antiferromagnetism or ferromagnetism depending on the sign of the hopping matrix element, t. We identify the "ring" exchange process around a triangular plaquette which determines the sign of the magnetic interactions. Exact diagonalization calculations are performed on the model for a wide range of parameters and compared to the strong coupling expansion. The regime U >> Δ~ |t| and t<0 is relevant to Na05CoO2. The calculated optical conductivity and the spectral density are discussed in the light of recent experiments on Na05CoO2.