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We study numerically the one-dimensional Kondo and Hund lattices consisting of localized spins interacting antiferro or ferromagnetically with the itinerant electrons, respectively. Using the Density Matrix Renormalization Group we find, for both mod els and in the small coupling regime, the existence of new magnetic phases where the local spins order forming ferromagnetic islands coupled antiferromagnetically. Furthermore, by increasing the interaction parameter $|J|$ we find that this order evolves toward the ferromagnetic regime through a spiral-like phase with longer characteristic wave lengths. These results shed new light on the zero temperature magnetic phase diagram for these models.
78 - C.I. Ventura , B. Alascio 2003
Recently, based on the refined crystal structure of Pr0.6Ca0.4MnO3 from neutron diffraction, Daoud-Aladine et al.[PRL89,97205(2002)] have proposed a new ground state structure for the half-doped manganites R0.5Ca0.5MnO3, where R is a trivalent ion li ke Bi,La,Pr,Sm or Y. Their proposal describes the CE magnetic structure attributed to these materials as an arrangement of dimers along the ferromagnetic Mn zig-zag chains that form it. However, the dimers proposal is in conflict with the Goodenough-Kanamori-Anderson rules, which give a coherent description of many transition metal insulating compounds and predict the coexistence of Mn3+ and Mn4+ ions in equal parts in the half-doped manganites. On the other hand, Rivadulla et al.[PRB 66, 174432 (2002)] have studied several single crystal samples of half-doped manganites and propose a phase diagram in terms of the tolerance factor which contains both types of structures. In the present work we have calculated the magnon dispersion relations for the CE magnetic structure, arising for each type of proposal: the charge ordered and the dimer phases, respectively. We consider a three-dimensional unit cell containing 16 spins, and compare the magnetic excitations along different paths in the first Brillouin zone. We conclude that measurement of the magnon dispersion relations should allow a clear distinction between the two proposals, predicting qualitative differences arising along specific directions of propagation in the first Brillouin zone.
The colossal magnetoresistance exhibited by Tl_{2}Mn_{2}O_{7} is an interesting phenomenon, as it is very similar to that found in perovskite manganese oxides although the compound differs both in its crystalline structure and electronic properties f rom the manganites. At the same time, other pyrochlore compounds, though sharing the same structure with Tl_{2}Mn_{2}O_{7}, do not exhibit the strong coupling between magnetism and transport properties found in this material. Mostly due to the absence of evidence for significant doping into the Mn-O sublattice, and the tendency of Tl to form conduction bands, the traditional double exchange mechanism mentioned in connection with manganites does not seem suitable to explain the experimental results in this case. We propose a model for Tl_{2}Mn_{2}O_{7} consisting of a lattice of intermediate valence ions fluctuating between two magnetic configurations, representing Mn-3d orbitals, hybridized with a conduction band, which we associate with Tl. This model had been proposed originally for the analysis of intermediate valence Tm compounds. With a simplified treatment of the model we obtain the electronic structure and transport properties of Tl_{2}Mn_{2}O_{7}, with good qualitative agreement to experiments. The presence of a hybridization gap in the density of states seems important to understand the reported Hall data.
114 - R. Allub , B. Alascio 1996
We use a model previously formulated based on the double exchange mechanism and diagonal disorder to calculate magnetization and conductivity for La_{1-x}Sr_xMnO_3 type crystals as a function of temperature. The model represents each Mn^{4+} ion by a spin S=1/2, on which an electron can be added to produce Mn$^{3+}$. We include a hopping energy $t,$ two strong intratomic interactions: exchange $J$, and Coulomb $U,$ and, to represent in a simple way the effects of disorder, a Lorentzian distribution of diagonal energies of width $Gamma $ at the Mn sites. In the strong coupling limit, $J,U>>t,Gamma $, the model results can be expressed in terms of $t$ and $Gamma .$ We use the results of the model to draw phase diagrams that separate ferromagnetic from paramagnetic states and also insulating states where the Fermi level falls in a region of localized states from metallic where the Fermi level falls in a region of extended states. Finally, assuming that particles in extended states make the largest contribution to conductivity, we calculate the resistivity for different concentrations and magnetic fields and compare with experiment. We conclude that for the model can be used successfully to represent the transport properties of the systems under consideration.
56 - R. Allub , B. Alascio 1996
We study a simplified model of the electronic structure of compounds of the type of La$_{1-x}$Sr$_x$MnO$_3$. The model represents each Mn$^{4+}$ ion by a spin S=1/2, on which an electron can be added to produce Mn$^{3+}$. We include two strong intrat omic interactions in the Hamiltonian: exchange ($J$% ) and Coulomb ($U$). Finally, to represent the effect of Sr substitution by La in a simple way, we include a distribution of diagonal energies at the Mn sites. Then we use Green function techniques to calculate a mobility edge and the average density of states. We find that according to the amount of disorder and to the concentration of electrons in the system, the Fermi level can cross the mobility edge to produce a metal to insulator transition as the magnetization decreases (increase of temperature). If the disorder is large, the system remains insulating for all concentrations. Concentrations near zero or one favor the insulating state while intermediate values of concentration favor the metallic state.
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