Thursday, August 23, 2012

1208.4500 (M. M. Korshunov et al.)

Cuprates, Manganites, and Cobaltites: Multielectron Approach to the Band
Structure
   [PDF]

M. M. Korshunov, S. G. Ovchinnikov, E. I. Shneyder, V. A. Gavrichkov, Yu. S. Orlov, I. A. Nekrasov, Z. V. Pchelkina
High-$T_c$ superconductors with CuO$_2$ layers, manganites La$_{1-x}$Sr$_x$MnO$_3$, and cobaltites LaCoO$_3$ present several mysteries in their physical properties. Most of them are believed to come from the strongly-correlated nature of these materials. From the theoretical viewpoint, there are many hidden rocks in making the consistent description of the band structure and low-energy physics starting from the Fermi-liquid approach. Here we discuss the alternative method -- multielectron approach to the electronic structure calculations for the Mott insulators -- called LDA+GTB (local density approximation + generalized tight-binding) method. Its origin is a straightforward generalization of the Hubbard perturbation theory in the atomic limit and the multiband $p-d$ Hamiltonian with the parameters calculated within LDA. We briefly discuss the method and focus on its applications to cuprates, manganites, and cobaltites.
View original: http://arxiv.org/abs/1208.4500

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