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    Origin of Charge-Orbital Order in the Half-Doped Manganites

    Popovic, Zoran S.
    Satpathy, Sashi Sekhar, 1956-
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    Date
    2002-04
    Format
    Article
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    Abstract
    The microscopic origin of the charge and orbital order in the half-doped manganites is examined from ab initio density-functional calculations and exact diagonalization studies. It is shown that the dominant mechanism responsible for the charge order is the Jahn-Teller coupling, with a lesser but significant contribution from the on-site Coulomb interaction. The band structure shows a sizable interchain coupling between the zigzag chains, leading to a considerable band dispersion normal to the chains, in sharp contrast with the zigzag chain physics.
    URI
    http://hdl.handle.net/10355/9434
    Part of
    Physics and Astronomy publications
    Citation
    Phys. Rev. Lett. 88, 197201 (2002) [4 pages]
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