Ferromagnetic Polarons in La0.5Ca0.5MnO3 and La0.33Ca0.67MnO3

Details Ferromagnetic Polarons in La0.5Ca0.5MnO3 and La0.33Ca0.67MnO3 Ferromagnetic Polarons in La0.5Ca0.5MnO3 and La0.33Ca0.67MnO3

2003-02-28

arxiv.org/abs/cond-mat/0302622v2

Physics

Condensed Matter

Strongly Correlated Electrons

4 pages 5 figures

Scientific paper

10.1103/PhysRevB.67.220404

Unrestricted Hartree-Fock calculations on La0.5Ca0.5MnO3 and La0.33Ca0.67MnO3 in the full magnetic unit cell show that the magnetic ground states of these compounds consist of 'ferromagnetic molecules' or polarons ordered in herring-bone patterns. Each polaron consists of either three or five Mn ions separated by O- ions with a magnetic moment opposed to those of the Mn ions. Ferromagnetic coupling within the polarons is strong while coupling between them is relatively weak. Magnetic moments on the Mn ions range between 3.8 and 3.9 Bohr magnetons in La0.5Ca0.5MnO3 and moments on the O- ions are -0.7 Bohr magnetons. Each polaron has a net magnetic moment of 7.0 Bohr magnetons, in good agreement with recently reported magnetisation measurements from electron microscopy. The polaronic nature of the electronic structure reported here is obviously related to the Zener polaron model recently proposed for Pr0.6Ca0.4MnO3 on the basis of neutron scattering data.

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