Charge Orderings and Phase Separations in Itinerant Fermion Systems at Half Filling

We analyse the ground state phase diagrams of the charge orderings in narrow band materials using two effective models: (1) the spinless fermion model (t - W) with repulsive intersite interaction ($W_{ij}$ > 0) and (2) the molecular crystal model with the coupling of electrons to intramolecular (crystal field) vibrations. We present results for the case of half filled bands for d = 2 square lattice. The calculations are performed within the (broken symmetry) Hartree-Fock approximation. The study takes into consideration the effects of frustrating next-nearest-neighbour hopping $(t_2)$ on the charge ordered states in these systems. We focus on the two cases: (i) homogeneous phases and phase separations involving checkerboard charge ordering with the nesting vector Q= (π,π) only and (ii) homogeneous phases and phase separations involving two types of charge ordering: (a) checkerboard charge ordering with the nesting vector Q = (π,π), and (b) collinear (CL) charge ordering with Q = (0,π) or Q = (π,0).