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Phys. Rev. B 58, 11583–11596 (1998)

Phase diagram of manganese oxides

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Ryo Maezono, Sumio Ishihara*, and Naoto Nagaosa
Department of Applied Physics, University of Tokyo, Bunkyo-ku, Tokyo 113, Japan

Received 19 May 1998; published in the issue dated 1 November 1998

We study theoretically the phase diagram of perovskite manganites taking into account the double degeneracy of the eg orbitals in a Mn3+ ion. A rich phase diagram is obtained in the mean-field theory at zero temperature as functions of x (hole concentration) and JS (antiferromagnetic interaction between t2g spins). The global features of the phase diagram are understood in terms of the superexchange and double-exchange interactions, which strongly depend on the types of occupied eg orbitals. The strong electron correlation induces the orbital polarization, which controls the dimension of the conduction band. A sequential change of the spin and orbital structures with doping holes is consistent with the recent experiments. In particular, a metallic A-type (layered) antiferromagnetic state is found for x0.5 with the uniform dx2-y2 orbital ordering. In this phase, calculated results suggest two-dimensional conduction and absence of the spin canting, which are observed experimentally. The effects of the Jahn-Teller distortion are also studied.

© 1998 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.58.11583
DOI:
10.1103/PhysRevB.58.11583
PACS:
71.27.+a, 75.30.Et

*Present address: Institute for Materials Research, Tohoku University, Sendai, 980-8577, Japan.