Electronic structure of strongly correlated AVO3 systems

We have studied the influence of electron correlation energy (U) and exchange correlation energy (J) on the electronic structure of 3d1 - 3d2 AVO3 perovskites using all-electron full-potential linearized augmented plane wave method within density functional theory. Electronic band structure calculations with generalized gradient approximation (GGA) formalism fail to describe the correct ground states whereas our GGA+U approach with an optimum U and J parameters has predicted the correct electronic structure of these AVO3 perovskites.