The role of Coulomb correlation in magnetic and transport properties of doped manganites: La0.5Sr0.5MnO3 and LaSr2Mn2O7
نویسندگان
چکیده
Results of local spin-density approximation (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 structures, (ii) magnetic ground states, (iii) interlayer exchange interactions, and (iv) anisotropy of the electrical transport in these two manganites. A p–d hybridization analysis is employed to look for possible explanations for the LSDA failing to predict the observed magnetic and transport properties of the double-layered compound— in contrast to the case for the doped perovskite manganite.
منابع مشابه
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 interac...
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