Electronic structure of charge and spin stripe order in La2xSrxNiO4 (x=13,12)

Susumu Yamamoto, Takeo Fujiwara, and Yasuhiro Hatsugai
Phys. Rev. B 76, 165114 – Published 11 October 2007

Abstract

Electronic structure of stripe ordered La2xSrxNiO4 is investigated. The system with x=13 is insulator, in LSDA+U calculations, and shows charge and spin stripe, consistent with the experimental results. A highly correlated system of x=12 is studied by using exact diagonalization of the multiorbital many-body Hamiltonian derived from LDA calculations and including on-site and intersite Coulomb interactions. The fluctuation of the residual spin on Ni3+ (hole) site couples with the charge fluctuation between Ni3+ and Ni2+ states and this correlation lowers the total energy. The resultant ground state is an insulator with charge and spin stripe of the energy gap 0.9eV, consistent with the observed one. The on-site Coulomb interaction stabilizes integral valency of each Ni ion (Ni3+ and Ni2+), but does not induce the charge order. Two quantities, intersite Coulomb interaction and anisotropy of hopping integrals, play an important role to form the charge and spin stripe order in a system of x=12.

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  • Received 15 August 2007

DOI:https://doi.org/10.1103/PhysRevB.76.165114

©2007 American Physical Society

Authors & Affiliations

Susumu Yamamoto1, Takeo Fujiwara2,1, and Yasuhiro Hatsugai3,4

  • 1Core Research for Evolutional Science and Technology, Japan Science and Technology Corporation (CREST-JST), Japan
  • 2Center for Research and Development of Higher Education, University of Tokyo, Tokyo 113-8656, Japan
  • 3Institute of Physics, University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki 305-8571, Japan
  • 4Department of Applied Physics, University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656, Japan

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Issue

Vol. 76, Iss. 16 — 15 October 2007

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