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First principle computation of stripes in cuprates

V. I. Anisimov·M. A. Korotin·A. S. Mylnikova·A. V. Kozhevnikov·J. Lorenzana
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Abstract

We present a first principle computation of vertical stripes in $La_{15/8}Sr_{1/8}CuO_4$ within the LDA+U method. We find that Cu centered stripes are unstable toward O centered stripes. The metallic core of the stripe is quite wide and shows reduced magnetic moments with suppressed antiferromagnetic (AF) interactions. The system can be pictured as alternating metallic and AF two-leg ladders the latter with strong AF interaction and a large spin gap. The Fermi surface shows warping due to interstripe hybridization. The periodicity and amplitude of the warping is in good agreement with angle resolved photoemission experiment. We discuss the connection with low-energy theories of the cuprates.

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V. I. Anisimov, M. A. Korotin, A. S. Mylnikova, A. V. Kozhevnikov, J. Lorenzana. 2004-02-05. First principle computation of stripes in cuprates. https://doi.org/10.1103/physrevb.70.172501

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