Double-exchange model for molecule-based magnets

We report a detailed study of a double-exchange model proposed for the molecule-based magnets. The model is applied to a two-dimensional periodic complex made of a transition metal and an organic molecule in which the electronic structure is described by effective d orbitals of the transition metal ion at infinite Hund's coupling limit and the lowest unoccupied molecular orbital of the organic molecule, π∗. Depending on the average electron density of the organic molecules and various superexchange couplings between metal ions' core spins, magnetic states of the complex are investigated. Performing Monte Carlo calculations on a model Hamiltonian for various electron densities of the organic molecule, the average magnetization and critical magnetic ordering temperatures are determined.