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Phys. Rev. B 70, 172501 (2004) [4 pages]

Computation of stripes in cuprates within the LDA+U method

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V. I. Anisimov1, M. A. Korotin1, A. S. Mylnikova1,2, A. V. Kozhevnikov1,2, Dm. M. Korotin1,2, and J. Lorenzana3
1Institute of Metal Physics, 620219 Ekaterinburg GSP-170, Russia
2Ural State Technical University, 620002 Ekaterinburg, Russia
3INFM Center for Statistical Mechanics and Complexity, Università di Roma “La Sapienza,” Piazzale Aldo Moro 2, 00185 Roma, Italy

Received 14 May 2004; published 3 November 2004

We present a computation of vertical stripes in La15∕8Sr1∕8CuO4 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.

© 2004 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.70.172501
DOI:
10.1103/PhysRevB.70.172501
PACS:
74.72.−h, 71.15.Mb, 71.18.+y, 71.45.Lr