Physics – Condensed Matter – Strongly Correlated Electrons
Scientific paper
2001-11-02
J.Phys.:Cond.Matter, vol. 14, p.4533-4542 (2002)
Physics
Condensed Matter
Strongly Correlated Electrons
11 pages, 3 figures
Scientific paper
10.1088/0953-8984/14/17/324
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.
Anisimov VI
Freeman Anthony
Medvedeva JE
Mryasov ON
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