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Phys. Rev. B 79, 161103(R) (2009) [4 pages]

Interplay of frustration, magnetism, charge ordering, and covalency in the ionic Hubbard model for Na0.5CoO2

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Jaime Merino1, B. J. Powell2, and Ross H. McKenzie2
1Departamento de Física Teórica de la Materia Condensada, Universidad Autónoma de Madrid, Madrid 28049, Spain
2Centre for Organic Photonics and Electronics, School of Physical Sciences, University of Queensland, Brisbane 4072, Australia

Received 10 February 2009; published 28 April 2009

We investigate the ionic Hubbard model on a triangular lattice at three-quarters filling. This model displays a subtle interplay between metallic and insulating phases and between charge and magnetic orders. We find crossovers among Mott, charge transfer and covalent insulators, and magnetic order with large moments that persist even when the charge transfer is weak. Our theoretical results are consistent with experiments on A0.5CoO2 (A=K,Na) and identify these materials as correlated covalent insulators.

© 2009 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.79.161103
DOI:
10.1103/PhysRevB.79.161103
PACS:
71.10.Fd, 71.15.−m, 71.27.+a