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Spin polaron theory for the photoemission spectra of layered cobaltates

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 Added by G. Khaliullin
 Publication date 2007
  fields Physics
and research's language is English




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Recently, strong reduction of the quasiparticle peaks and pronounced incoherent structures have been observed in the photoemission spectra of layered cobaltates. Surprisingly, these many-body effects are found to increase near the band insulator regime. We explain these unexpected observations in terms of a novel spin-polaron model for CoO_2 planes which is based on a fact of the spin-state quasidegeneracy of Co^{3+} ions in oxides. Scattering of the photoholes on spin-state fluctuations suppresses their coherent motion. The observed ``peak-dip-hump type lineshapes are well reproduced by the theory.



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The cross over from low to high carrier densities in a many-polaron system is studied in the framework of the one-dimensional spinless Holstein model, using unbiased numerical methods. Combining a novel quantum Monte Carlo approach and exact diagonalization, accurate results for the single-particle spectrum and the electronic kinetic energy on fairly large systems are obtained. A detailed investigation of the quality of the Monte Carlo data is presented. In the physically most important adiabatic intermediate electron-phonon coupling regime, for which no analytical results are available, we observe a dissociation of polarons with increasing band filling, leading to normal metallic behavior, while for parameters favoring small polarons, no such density-driven changes occur. The present work points towards the inadequacy of single-polaron theories for a number of polaronic materials such as the manganites.
74 - T. Kroll , M. Knupfer , J. Geck 2006
Measurements of polarization and temperature dependent soft x-ray absorption have been performed on Na_xCoO_2 single crystals with x=0.4 and x=0.6. They show a deviation of the local trigonal symmetry of the CoO_6 octahedra, which is temperature independent in a temperature range between 25 K and 372 K. This deviation was found to be different for Co^{3+} and Co^{4+} sites. With the help of a cluster calculation we are able to interpret the Co L_{23}-edge absorption spectrum and find a doping dependent energy splitting between the t_{2g} and the e_g levels (10Dq) in Na_xCoO_2.
78 - G. Khaliullin , W. Koshibae , 2005
The structure of the low-energy electronic states in layered cobaltates is considered starting from the Mott insulating limit. We argue that the coherent part of the wave-functions and the Fermi-surface topology at low doping are strongly influenced by spin-orbit coupling of the correlated electrons on the $t_{2g}$ level. An effective t-J model based on mixed spin-orbital states is radically different from that for the cuprates, and supports unconventional, pseudospin-triplet pairing.
We derive an S=1 spin polaron model which describes the motion of a single hole introduced into the S=1 spin antiferromagnetic ground state of Ca2RuO4. We solve the model using the self-consistent Born approximation and show that its hole spectral function qualitatively agrees with the experimentally observed high-binding energy part of the Ca2RuO4 photoemission spectrum. We explain the observed peculiarities of the photoemission spectrum by linking them to two anisotropies present in the employed model---the spin anisotropy and the hopping anisotropy. We verify that these anisotropies, and not the possible differences between the ruthenate (S=1) and the cuprate (S=1/2) spin polaron models, are responsible for the strong qualitative differences between the photoemission spectrum of Ca2RuO4 and of the undoped cuprates.
Angle-resolved photoemission spectroscopy data for the bilayer manganite La1.2Sr1.8Mn2O7 show that, upon lowering the temperature below the Curie point, a coherent polaronic metallic groundstate emerges very rapidly with well defined quasiparticles which track remarkably well the electrical conductivity, consistent with macroscopic transport properties. Our data suggest that the mechanism leading to the insulator-to-metal transition in La1.2Sr1.8Mn2O7 can be regarded as a polaron coherence condensation process acting in concert with the Double Exchange interaction.
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