Spin polaron effective magnetic model for La0.5Ca0.5MnO3

Abstract

The conventional paradigm of charge order for La1−xCaxMnO3 for x=0.5 has been challenged recently by a Zener polaron picture emerging from experiments and theoretical calculations. The effective low energy Hamiltonian for the magnetic degrees of freedom has been found to be a cubic Heisenberg model, with ferromagnetic nearest neighbor and frustrating antiferromagnetic next nearest neighbor interactions in the planes, and antiferromagnetic interaction between planes. With linear spin wave theory and diagonalization of small clusters up to 27 sites we find that the behavior of the model interpolates between the A- and CE-type magnetic structures when a frustrating intraplanar interaction is tuned. The values of the interactions calculated by ab initio methods indicate a possible non-bipartite picture of polaron ordering differing from the conventional one.