Role of Coulomb correlation on magnetic and transport properties of doped manganites: La0.5Sr0.5MnO3 and LaSr2Mn2O7

Results of LSDA and LSDA+U calculations of the electronic structure and magnetic configurations of the 50 % hole-doped pseudocubic perovskite La0.5Sr0.5MnO3 and double layered LaSr2Mn2O7 are presented. We demonstrate that the on-site Coulomb correlation (U) of Mn d electrons has a very different influence on the (i) band formations, (ii) magnetic ground states, (iii) interlayer exchange interactions, and (iv) anisotropy of the electrical transport in these two manganites. A possible reason why the LSDA failures in predicting observed magnetic and transport properties of the double layered compound in contrast to the doped perovskite manganite is considered on the basis of a p-d hybridization analysis. pacs: 71.20.-b, 72.25.-b, 75.30.Kz, 75.50.Cc, 75.50.Ee