Magnetization steps in the molecular magnet Ni4Mo12 revealed by complex exchange bridges

We study the behavior of the magnetization and the magnetic susceptibility of molecular magnets with complex bridging structure. Our computations are based on a post-Hartree-Fock method accounting for the intricate network of interatomic bonds and an effective spin-like Hamiltonian that captures the essential magnetic features of magnetic molecules. The devised method and the constructed Hamiltonian are further employed to characterize the magnetic properties of the molecular magnet Ni$_4$Mo$_{12}$. The obtained results reproduce both quantitatively and qualitatively the main features of the magnetic spectrum. Furthermore, the computations for the magnetization and the low-field susceptibility are in very good agreement with their experimental counterparts. In this respect, they improve upon the results obtained with conventional Heisenberg models.