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Phys. Rev. Lett. 98, 226402 (2007) [4 pages]

Charge and Spin Order on the Triangular Lattice: NaxCoO2 at x=0.5

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Sen Zhou and Ziqiang Wang
Department of Physics, Boston College, Chestnut Hill, Massachusetts 02467, USA

Received 7 August 2006; published 1 June 2007

The nature of electronic states due to strong correlation and geometric frustration on the triangular lattice is investigated in connection to the unconventional insulating state of NaxCoO2 at x=0.5. We study an extended Hubbard model using a spatially unrestricted Gutzwiller approximation. We find a new class of charge and spin ordered states at x=1/3 and x=0.5 where antiferromagnetic (AFM) frustration is alleviated via weak charge inhomogeneity. At x=0.5, we show that the 3a×2a off-plane Na dopant order induces weak 3a×1a charge order in the Co layer. The symmetry breaking enables successive 3a×1a AFM and 2a×2a charge- or spin-ordering transitions at low temperatures. The Fermi surface is truncated by the 2a×2a hexagonal zone boundary into small electron and hole pockets. We study the phase structure and compare to recent experiments.

© 2007 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevLett.98.226402
DOI:
10.1103/PhysRevLett.98.226402
PACS:
71.27.+a, 71.18.+y, 74.25.Jb, 74.70.−b